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4-Aminobutanoic acid

AlkaPlorer ID: AK000373

Synonym: γ-Aminobutyric acid, Piperidinic acid, Piperidic acid, Aminalon, Gamalon, FEMA 4288, GABA

IUPAC Name: 4-aminobutanoic acid

Structure

SMILES: NCCCC(=O)O

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InChI: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

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InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 103.12099999999998

TPSA？: 63.32000000000001

MolLogP？: -0.1900999999999997

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Drosophila Drosophila Activity 7.0 % 10.1038/nchembio.78
Drosophila Drosophila Activity 8.0 % 10.1038/nchembio.78
Drosophila Drosophila Activity 25.0 % 10.1038/nchembio.78
Drosophila Drosophila Activity 33.0 % 10.1038/nchembio.78
Drosophila Drosophila Activity 70.0 % 10.1038/nchembio.78
Drosophila Drosophila Activity 83.1 % 10.1038/nchembio.78
Drosophila Drosophila Activity nan None 10.1038/nchembio.78
Equus caballus Ferritin light chain Potency 316.2 nM None
Felis catus Felis catus Relative potency nan None 10.1021/jm00149a012
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 1457.5 nM None
Homo sapiens Betaine transporter EC50 36000.0 nM 10.5281/zenodo.7360527
Homo sapiens Betaine transporter IC50 851.14 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 1000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 1548.82 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 2000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 2187.76 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 3000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 3311.31 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 3630.78 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 3890.45 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 3981.07 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 4000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 4168.69 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 5000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 5128.61 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 5370.32 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 5495.41 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 6000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 6606.93 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 7000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 7413.1 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 7585.78 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 7943.28 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 8000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 9000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 9549.93 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 10000.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Betaine transporter IC50 10232.93 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 10715.19 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 11000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 13000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 13182.57 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 14125.38 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 15135.61 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 16000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 16218.1 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 17000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 17782.79 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 25000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 27542.29 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 36000.0 nM 10.1021/jm00041a012
Homo sapiens Betaine transporter IC50 39000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 165958.69 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Betaine transporter IC50 181000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens Bloom syndrome protein Potency 3.5 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 631.0 nM None
Homo sapiens Cerebroside-sulfatase Potency 8492.1 nM None
Homo sapiens Cytochrome P450 1A2 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Dopamine D1 receptor Potency 4109.2 nM None
Homo sapiens GABA-A receptor; agonist GABA site EC50 990.0 nM 10.1021/jm200943f
Homo sapiens GABA-A receptor; agonist GABA site EC50 16500.0 nM 10.1021/ml300476v
Homo sapiens GABA-A receptor; agonist GABA site EC50 21100.0 nM 10.1021/jm7015842
Homo sapiens GABA A receptor alpha-1/beta-1/gamma-2 EC50 42657.95 nM 10.1021/jm070447j
Homo sapiens GABA A receptor alpha-1/beta-1/gamma-2 EC50 43000.0 nM 10.1021/jm070447j
Homo sapiens GABA A receptor alpha-1/beta-1/gamma-2 RUmax 100.0 % 10.1021/jm070447j
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 1778.28 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 1778.28 nM 10.1021/jm301473k
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 1800.0 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 1800.0 nM 10.1021/jm301473k
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 3700.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 3801.89 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 51000.0 nM 10.1016/j.bmc.2015.08.034
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 logEC50 1.52 None 10.1074/jbc.m707233200
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 logEC50 1.56 None 10.1074/jbc.m707233200
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 Rmax 100.0 % 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA-A receptor; alpha-1/beta-3/gamma-2 EC50 80000.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-1/beta-3/gamma-2 Max 100.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA A receptor alpha-2/beta-2/gamma-2 EC50 650.0 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA A receptor alpha-2/beta-2/gamma-2 EC50 650.0 nM 10.1021/jm301473k
Homo sapiens GABA A receptor alpha-2/beta-2/gamma-2 EC50 660.69 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA A receptor alpha-2/beta-2/gamma-2 EC50 660.69 nM 10.1021/jm301473k
Homo sapiens GABA-A receptor; alpha-2/beta-3/gamma-2 EC50 40000.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-2/beta-3/gamma-2 Max 100.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA A receptor alpha-3/beta-2/gamma-2 EC50 912.01 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA A receptor alpha-3/beta-2/gamma-2 EC50 912.01 nM 10.1021/jm301473k
Homo sapiens GABA A receptor alpha-3/beta-2/gamma-2 EC50 920.0 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA A receptor alpha-3/beta-2/gamma-2 EC50 920.0 nM 10.1021/jm301473k
Homo sapiens GABA-A receptor; alpha-3/beta-3/gamma-2 EC50 28000.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-3/beta-3/gamma-2 Max 100.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA A receptor alpha-4/beta-3/gamma-2 EC50 50000.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA A receptor alpha-4/beta-3/gamma-2 Max 100.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-5/beta-3/gamma-2 EC50 3000.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-5/beta-3/gamma-2 Max 100.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-6/beta-3/gamma-2 EC50 1500.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-6/beta-3/gamma-2 Max 100.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; anion channel Activity 82.0 % 10.1016/j.ejmech.2014.09.034
Homo sapiens GABA-A receptor; anion channel GABA agonism nan None 10.1021/jm00360a020
Homo sapiens GABA-A receptor; anion channel IC50 25.0 nM 10.1021/jm00100a015
Homo sapiens GABA-A receptor; anion channel IC50 1450.0 nM 10.1021/jm00100a015
Homo sapiens GABA-A receptor; anion channel Ki 33.0 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA-A receptor; anion channel Ki 200.0 nM 10.1021/jm00180a029
Homo sapiens GABA-B receptor EC50 530.0 nM 10.1021/jm301805e
Homo sapiens GABA-B receptor IC50 25.0 nM 10.1021/jm00017a015
Homo sapiens GABA-B receptor Inhibition 75.3 % 10.1021/acs.jmedchem.8b01343
Homo sapiens GABA-B receptor Inhibition nan % 10.1021/ml500162z
Homo sapiens GABA-B receptor 1 EC50 1700.0 nM 10.1021/jm7015842
Homo sapiens GABA-C receptor Kd 1700.0 nM 10.1021/jm9904349
Homo sapiens GABA receptor alpha-1 subunit logEC50 1.5 None 10.1074/jbc.m707233200
Homo sapiens GABA receptor rho-1 subunit EC50 269.15 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA receptor rho-1 subunit EC50 269.15 nM 10.1021/jm301473k
Homo sapiens GABA receptor rho-1 subunit EC50 270.0 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA receptor rho-1 subunit EC50 270.0 nM 10.1021/jm301473k
Homo sapiens GABA receptor rho-1 subunit EC50 338.84 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA receptor rho-1 subunit EC50 340.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA receptor rho-1 subunit EC50 800.0 nM 10.1021/jm7015842
Homo sapiens GABA receptor rho-1 subunit EC50 1000.0 nM 10.1021/ml300476v
Homo sapiens GABA receptor rho-1 subunit EC50 1190.0 nM 10.1016/j.bmcl.2007.10.019
Homo sapiens GABA transporter 1 IC50 3000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens GABA transporter 1 IC50 3311.31 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens GABA transporter 1 IC50 5000.0 nM 10.1016/j.bmc.2019.02.015
Homo sapiens GABA transporter 1 IC50 5000.0 nM 10.1021/jm00041a012
Homo sapiens GABA transporter 1 IC50 10000.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA transporter 2 IC50 26000.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA transporter 3 IC50 1000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens GABA transporter 3 IC50 3981.07 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens GABA transporter 3 IC50 4000.0 nM 10.1021/acs.jmedchem.7b00924
Homo sapiens GABA transporter 3 IC50 7000.0 nM 10.1021/jm00041a012
Homo sapiens GABA transporter 3 IC50 11000.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-3/beta-3 EC50 4500.0 nM 10.1039/C5MD00442J
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/theta EC50 3400.0 nM 10.1039/C5MD00442J
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 EC50 3700.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 EC50 3715.35 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 EC50 230.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 EC50 234.42 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Gamma-amino-N-butyrate transaminase Km 1400000.0 nM 10.1021/jm00155a029
Homo sapiens Gamma-amino-N-butyrate transaminase Km 2500000.0 nM 10.1021/jm1013693
Homo sapiens Geminin Potency 1122.0 nM None
Homo sapiens Glycine receptor subunit alpha-1 EC50 nan None 10.1021/jm070574f
Homo sapiens Histone acetyltransferase GCN5 Potency 39810.7 nM None
Homo sapiens Histone deacetylase Activity 100.0 % 10.1016/j.bmc.2009.05.042
Homo sapiens Histone deacetylase Ki 8190.0 nM 10.1016/j.bmc.2009.05.042
Homo sapiens Histone deacetylase 6 Inhibition -15.82 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 8.14 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 2377.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 2818.4 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 28183.8 nM None
Homo sapiens Histone-lysine N-methyltransferase MLL Potency 79.4 nM None
Homo sapiens Hs-578T GI nan None 10.1016/j.bmc.2013.02.015
Homo sapiens MDA-MB-231 GI nan None 10.1016/j.bmc.2013.02.015
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit EC50 nan None 10.1021/jm070574f
Homo sapiens Neuropeptide S receptor Potency 31622.8 nM None
Homo sapiens Platelet glycoprotein VI (GPVI) Kd 41.1 nM 10.1021/acs.jmedchem.0c00262
Homo sapiens Prelamin-A/C Potency 7.9 nM None
Homo sapiens Prelamin-A/C Potency 5623.4 nM None
Homo sapiens Proton-coupled amino acid transporter 1 Ki 4000000.0 nM 10.1016/j.bmc.2011.08.058
Homo sapiens Proton-coupled amino acid transporter 1 pKi -0.6 mM 10.1016/j.bmc.2011.08.058
Homo sapiens Regulator of G-protein signaling 4 Potency 6.7 nM None
Homo sapiens Regulator of G-protein signaling 4 Potency 376.5 nM None
Homo sapiens Serotonin 3a (5-HT3a) receptor EC50 nan None 10.1021/jm070574f
Homo sapiens SLC16A10 protein Activity nan None 10.1006/geno.2001.6678
Homo sapiens Sodium- and chloride-dependent taurine transporter EC50 354000.0 nM 10.5281/zenodo.7360560
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 56.63 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 81.28 % 10.1124/mol.112.084152
Homo sapiens TAR DNA-binding protein 43 Potency 35481.3 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 19952.6 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 31622.8 nM None
Homo sapiens Transcriptional regulator ERG Potency 1122.0 nM None
Mus musculus GABA-A receptor; anion channel EC50 14300.0 nM 10.1016/s0960-894x(02)00299-8
Mus musculus GABA-A receptor; anion channel Emax 389.0 None 10.1016/s0960-894x(02)00299-8
Mus musculus GABA transporter 1 IC50 5000.0 nM 10.1021/jm301800j
Mus musculus GABA transporter 1 IC50 5011.87 nM 10.1021/jm301800j
Mus musculus GABA transporter 1 IC50 7244.36 nM 10.1016/j.bmc.2013.02.056
Mus musculus GABA transporter 1 IC50 7244.36 nM 10.1016/j.bmc.2019.05.001
Mus musculus GABA transporter 1 IC50 7244.36 nM 10.1016/j.ejmech.2011.01.042
Mus musculus GABA transporter 1 IC50 30199.52 nM 10.1016/j.ejmech.2019.111920
Mus musculus GABA transporter 3 IC50 7079.46 nM 10.1016/j.ejmech.2019.111920
Mus musculus GABA transporter 3 IC50 27542.29 nM 10.1016/j.bmc.2013.02.056
Mus musculus GABA transporter 3 IC50 27542.29 nM 10.1016/j.ejmech.2011.01.042
Mus musculus GABA transporter 3 pIC50 nan None 10.1016/j.ejmech.2019.111920
Mus musculus GABA transporter 4 IC50 8128.31 nM 10.1016/j.ejmech.2011.01.042
Mus musculus GABA transporter 4 IC50 11481.54 nM 10.1016/j.bmc.2013.02.056
Mus musculus GABA transporter 4 IC50 33113.11 nM 10.1016/j.ejmech.2019.111920
Mus musculus Heat shock factor protein 1 EC50 195000.0 nM None
Mus musculus Mus musculus Activity 0.041 nM g-1 10.1021/jm00392a008
Mus musculus Mus musculus Activity 4.2 nM g-1 10.1021/jm00392a008
Mus musculus Mus musculus BPI 0.96 None 10.1021/jm00379a019
Mus musculus Mus musculus Brain penetration index 0.8 % 10.1021/jm00371a018
Mus musculus Mus musculus Brain penetration index 0.93 % 10.1021/jm00371a018
Mus musculus Mus musculus Brain penetration index 0.95 % 10.1021/jm00371a018
Mus musculus Mus musculus Brain penetration index 1.0 % 10.1021/jm00371a018
Mus musculus Mus musculus Brain penetration index 1.1 % 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 0.04 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 0.04 nM (g of tissue)-1 10.1021/jm00164a042
Mus musculus Mus musculus Concentration 0.23 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 0.45 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 0.66 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 0.83 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 1.03 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 1.81 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 4.17 nM (g of tissue)-1 10.1021/jm00164a042
Mus musculus Mus musculus Concentration 4.2 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 29.0 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 46.0 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 71.0 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 83.0 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 104.0 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Concentration 165.0 nM g-1 10.1021/jm00371a018
Mus musculus Mus musculus Decrease 62.1 % 10.1021/jm00392a008
Mus musculus Mus musculus Motor activity 100.0 None 10.1021/jm00371a018
Mus musculus Mus musculus Onset for sleep 10.1 min 10.1021/jm00106a025
Mus musculus Mus musculus Sleeping time 25.7 min 10.1021/jm00106a025
Mus musculus Mus musculus Survival rate 112.0 % 10.1021/jm00106a025
Mus musculus Mus musculus Survival rate 115.0 % 10.1021/jm00106a025
Mus musculus Mus musculus Survival ratio 0.0 None 10.1021/jm00106a025
Mus musculus Mus musculus Uptake 0.04 nM g-1 10.1021/jm00379a019
Mus musculus Mus musculus Uptake 4.2 nM g-1 10.1021/jm00379a019
Plasmodium falciparum Plasmodium falciparum Potency 3793.3 nM None
Rattus norvegicus Free fatty acid receptor 3 EC50 nan None None
Rattus norvegicus GABA-A receptor; alpha-1/beta-2/gamma-2 EC 25.0 None 10.1021/jm701562x
Rattus norvegicus GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 2300.0 nM 10.1021/jm301805e
Rattus norvegicus GABA A receptor alpha-2/beta-2/gamma-2 EC 24.0 None 10.1021/jm701562x
Rattus norvegicus GABA A receptor alpha-5/beta-3/gamma-2 EC 22.0 None 10.1021/jm701562x
Rattus norvegicus GABA-A receptor; anion channel Binding affinity 55.4 spec bound mg-1 10.1021/jm00151a001
Rattus norvegicus GABA-A receptor; anion channel Displacement 48.0 % 10.1021/jm00139a005
Rattus norvegicus GABA-A receptor; anion channel Displacement 100.0 % 10.1021/jm00151a001
Rattus norvegicus GABA-A receptor; anion channel IC50 13.0 nM 10.1021/jm051288b
Rattus norvegicus GABA-A receptor; anion channel IC50 15.0 nM 10.1021/jm00149a012
Rattus norvegicus GABA-A receptor; anion channel IC50 15.0 nM 10.1021/jm060585t
Rattus norvegicus GABA-A receptor; anion channel IC50 18.0 nM 10.1021/jm00017a014
Rattus norvegicus GABA-A receptor; anion channel IC50 20.0 nM 10.1021/jm00184a017
Rattus norvegicus GABA-A receptor; anion channel IC50 24.0 nM 10.1021/jm060585t
Rattus norvegicus GABA-A receptor; anion channel IC50 25.0 nM 10.1021/jm00149a012
Rattus norvegicus GABA-A receptor; anion channel IC50 29.0 nM 10.1021/jm50001a020
Rattus norvegicus GABA-A receptor; anion channel IC50 30.0 nM 10.1021/jm00108a011
Rattus norvegicus GABA-A receptor; anion channel IC50 30.0 nM 10.1021/jm00387a031
Rattus norvegicus GABA-A receptor; anion channel IC50 33.0 nM 10.1021/jm00163a012
Rattus norvegicus GABA-A receptor; anion channel IC50 33.0 nM 10.1021/jm00352a012
Rattus norvegicus GABA-A receptor; anion channel IC50 33.0 nM 10.1021/jm00360a020
Rattus norvegicus GABA-A receptor; anion channel IC50 100.0 nM 10.1021/jm00112a033
Rattus norvegicus GABA-A receptor; anion channel IC50 128.0 nM 10.1021/jm00017a015
Rattus norvegicus GABA-A receptor; anion channel IC50 50000.0 nM 10.1021/jm00344a004
Rattus norvegicus GABA-A receptor; anion channel Inhibition nan % 10.1021/jm50001a020
Rattus norvegicus GABA-A receptor; anion channel Ki 25.0 nM 10.1021/jm00180a029
Rattus norvegicus GABA-A receptor; anion channel Ki 49.0 nM 10.1021/acs.jmedchem.9b00131
Rattus norvegicus GABA-A receptor; anion channel Ki 49.0 nM 10.1021/jm051288b
Rattus norvegicus GABA-A receptor; anion channel Ki 2100000.0 nM 10.1021/acs.jmedchem.9b00131
Rattus norvegicus GABA-A receptor; anion channel Relative affinity 1.0 None 10.1021/jm00184a017
Rattus norvegicus GABA B receptor Displacement 100.0 % 10.1021/jm00151a001
Rattus norvegicus GABA B receptor IC50 17.0 nM 10.1021/jm00017a015
Rattus norvegicus GABA B receptor IC50 30.0 nM 10.1021/jm00017a014
Rattus norvegicus GABA B receptor IC50 30.0 nM 10.1021/jm00163a012
Rattus norvegicus GABA B receptor IC50 30.0 nM 10.1021/jm00387a031
Rattus norvegicus GABA B receptor IC50 40.0 nM 10.1021/jm00112a033
Rattus norvegicus GABA B receptor IC50 60.0 nM 10.1016/S0960-894X(01)81218-X
Rattus norvegicus GABA receptor alpha-1 subunit EC50 10000.0 nM 10.1021/jm701562x
Rattus norvegicus GABA receptor alpha-2 subunit IC50 22.0 nM 10.1021/jm00151a020
Rattus norvegicus GABA receptor alpha-3 subunit EC 22.0 None 10.1021/jm701562x
Rattus norvegicus GABA receptor alpha-4 subunit EC 25.0 None 10.1021/jm701562x
Rattus norvegicus GABA receptor alpha-6 subunit EC 20.0 None 10.1021/jm701562x
Rattus norvegicus GABA receptor gamma-1 subunit IC50 33.0 nM 10.1021/jm00149a012
Rattus norvegicus GABA transporter IC50 2000.0 nM 10.1021/jm00352a012
Rattus norvegicus GABA transporter IC50 2000.0 nM 10.1021/jm00360a020
Rattus norvegicus GABA transporter IC50 3000.0 nM 10.1021/jm00149a012
Rattus norvegicus GABA transporter Inhibition 61.0 % 10.1021/jm00139a005
Rattus norvegicus GABA transporter Inhibition 95.0 % 10.1021/jm00151a001
Rattus norvegicus GABA transporter 1 IC50 1620.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1790.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1800.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1830.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1970.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2120.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2150.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2500.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2600.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2640.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2730.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2750.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2880.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 2 IC50 5000.0 nM 10.1021/jm00041a012
Rattus norvegicus Gamma-amino-N-butyrate transaminase Inhibition nan % 10.1021/jm50001a020
Rattus norvegicus Gamma-hydroxybutyrate receptor Inhibition nan % 10.1021/jm00400a001
Rattus norvegicus Glutamate decarboxylase 67 kDa isoform Inhibition nan % 10.1021/jm50001a020
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 EC50 nan None 10.1021/jm070574f
Rattus norvegicus Peripheral myelin protein 22 Potency 57.3 nM None
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm7012453
Rattus norvegicus Rattus norvegicus Hypnosis duration 128.0 min 10.1016/j.bmcl.2003.07.004
Rattus norvegicus Rattus norvegicus Hypnosis duration 155.0 min 10.1016/j.bmcl.2003.07.004
Rattus norvegicus Rattus norvegicus Hypnosis duration 188.0 min 10.1016/j.bmcl.2003.07.004
Rattus norvegicus Rattus norvegicus IC50 70.0 nM 10.1021/jm00371a018
Rattus norvegicus Rattus norvegicus IC50 2000.0 nM 10.1021/jm00017a014
Rattus norvegicus Rattus norvegicus IC50 2600.0 nM 10.1021/jm50001a020
Rattus norvegicus Rattus norvegicus IC50 8600.0 nM 10.1021/jm00100a032
Rattus norvegicus Rattus norvegicus IC50 3600000.0 nM 10.1021/jm00164a042
Rattus norvegicus Rattus norvegicus Km 4300.0 nM 10.1021/jm00151a020
Rattus norvegicus Rattus norvegicus Vmax 881.0 pM min-1 mg-1 10.1021/jm00151a020
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Activity nan None 10.1021/jm301656h
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 19952.6 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 4.81 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 13.92 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.04 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.09 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 12.19 % 10.21203/rs.3.rs-23951/v1
Sus scrofa Gamma-amino-N-butyrate transaminase k cat 49.0 min-1 10.1021/jm990271o
Sus scrofa Gamma-amino-N-butyrate transaminase Kcat 49.0 /min 10.1016/j.bmc.2012.08.009
Sus scrofa Gamma-amino-N-butyrate transaminase Kcat/Km 38.6 /min/mM 10.1016/j.bmc.2012.08.009
Sus scrofa Gamma-amino-N-butyrate transaminase Km 1300000.0 nM 10.1016/j.bmc.2012.08.009
Sus scrofa Gamma-amino-N-butyrate transaminase Km 1300000.0 nM 10.1021/jm00155a029
Sus scrofa Gamma-amino-N-butyrate transaminase Km 2400000.0 nM 10.1021/jm990271o
Sus scrofa Gamma-amino-N-butyrate transaminase Km 2500000.0 nM 10.1021/jm980435l
None ADMET Activity 0.0 % 10.1021/jm901654x
None ADMET Activity 5.4 % 10.1021/jm901654x
None ADMET Binding energy 10.9 kCal mol-1 10.1021/jm00378a021
None ADMET Km 1100000.0 nM 10.1021/jm00160a007
None ADMET Partition coefficient 0.004 None 10.1021/jm00164a042
None ADMET permeability 0.0 10'6cm/s 10.1021/jm901654x
None ADMET Vmax 0.14 uM min-1mg-1 10.1021/jm00160a007
None Cerebellar granule neurone Inhibition 0.0 % 10.1021/jm00042a001
None Cerebellar granule neurone Inhibition 37.0 % 10.1021/jm00042a001
None Cerebellar granule neurone Inhibition 60.0 % 10.1021/jm00042a001
None Cerebellar granule neurone Inhibition 70.0 % 10.1021/jm00042a001
None Hairpin ribozyme RNA K obs 0.0088 None 10.1016/s0960-894x(01)00608-4
None Hairpin ribozyme RNA K obs 0.023 None 10.1016/s0960-894x(01)00608-4
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None NON-PROTEIN TARGET BPI 1.0 None 10.1021/jm00164a042
None NON-PROTEIN TARGET BUI 2.0 None 10.1021/jm00392a008
None No relevant target K 0.004 None 10.1021/jm00371a018
None No relevant target K 0.004 None 10.1021/jm00379a019
None No relevant target K 0.004 None 10.1021/jm00392a008
None No relevant target LogD -3.1 None 10.1016/s0960-894x(99)00542-9
None No relevant target LogD5.0 -3.33 None 10.1021/jm00106a025
None No relevant target LogP -0.82 None 10.1021/jm1013693
None No relevant target pKa 4.0 None 10.1021/jm00017a014
None No relevant target pKa 4.0 None 10.1021/jm00360a020
None No relevant target pKa 4.04 None 10.1021/jm00187a022
None No relevant target pKa 10.6 None 10.1007/s11095-013-1232-z
None No relevant target pKa 10.7 None 10.1021/jm00017a014
None No relevant target pKA 4.0 None 10.1021/jm00352a012
None No relevant target pKA 10.7 None 10.1021/jm00352a012
None No relevant target Saq 10000.0 None 10.1021/jm00106a025
None Unchecked Activity 35.0 % 10.1021/jm701562x
None Unchecked Activity 49.0 % 10.1021/jm701562x
None Unchecked Activity 75.0 % 10.1021/np50094a001
None Unchecked Activity 77.0 % 10.1021/jm701562x
None Unchecked Activity nan None 10.1016/j.ejmech.2014.09.034
None Unchecked Activity nan None 10.1039/C5MD00442J
None Unchecked BPI 0.96 % 10.1021/jm00392a008
None Unchecked EC50 107.15 nM 10.1016/j.ejmech.2014.07.039
None Unchecked EC50 107.15 nM 10.1021/jm301473k
None Unchecked EC50 110.0 nM 10.1016/j.ejmech.2014.07.039
None Unchecked EC50 110.0 nM 10.1021/jm301473k
None Unchecked EC50 398.11 nM 10.1021/jm070447j
None Unchecked EC50 430.0 nM 10.1021/jm070447j
None Unchecked EC50 430.0 nM 10.1021/jm070574f
None Unchecked EC50 436.52 nM 10.1021/jm070574f
None Unchecked EC50 550.0 nM 10.1021/jm070447j
None Unchecked EC50 1258.93 nM 10.1021/acs.jmedchem.9b00026
None Unchecked EC50 1600.0 nM 10.1021/acs.jmedchem.9b00026
None Unchecked EC50 2300.0 nM 10.1021/ml300476v
None Unchecked EC50 2630.27 nM 10.1039/C5MD00442J
None Unchecked EC50 2940.0 nM 10.1039/C5MD00442J
None Unchecked EC50 6000.0 nM 10.1021/jm070447j
None Unchecked EC50 6025.6 nM 10.1021/jm070447j
None Unchecked EC50 6500.0 nM 10.1021/jm701562x
None Unchecked EC50 12800.0 nM 10.1021/jm070447j
None Unchecked EC50 12882.5 nM 10.1021/jm070447j
None Unchecked EC50 19952.62 nM 10.1021/jm070447j
None Unchecked EC50 22000.0 nM 10.1021/jm070447j
None Unchecked EC50 136000.0 nM 10.1021/jm701562x
None Unchecked EC50 430000.0 nM 10.1021/jm701562x
None Unchecked EC50 5540000.0 nM 10.1021/jm701562x
None Unchecked EC50 1995262314968882.8 nM 10.1021/jm070447j
None Unchecked IC50 15.0 nM 10.1021/jm061056s
None Unchecked IC50 21.0 nM 10.1016/j.bmc.2016.03.006
None Unchecked IC50 21.0 nM 10.1016/j.bmc.2016.11.014
None Unchecked IC50 24.0 nM 10.1021/jm061056s
None Unchecked IC50 27.0 nM 10.1016/j.bmc.2010.07.034
None Unchecked IC50 32.0 nM 10.1016/j.bmcl.2013.01.025
None Unchecked IC50 44.0 nM 10.1021/jm701575k
None Unchecked IC50 56.0 nM 10.1016/j.ejmech.2013.01.044
None Unchecked IC50 68.0 nM 10.1021/jm8007618
None Unchecked IC50 73.0 nM 10.1016/j.bmc.2013.03.016
None Unchecked IC50 3000.0 nM 10.1021/jm00163a012
None Unchecked IC50 6606.93 nM 10.1016/j.bmc.2013.02.056
None Unchecked IC50 6606.93 nM 10.1016/j.ejmech.2011.01.042
None Unchecked Inhibition -1.0 % 10.1016/j.bmcl.2013.01.025
None Unchecked Inhibition nan % 10.1021/jm4011719
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked k cat/Km 20.4 m M-1 min-1 10.1021/jm990271o
None Unchecked Ki 26.0 nM 10.1016/j.bmcl.2013.01.025
None Unchecked Ki 33.0 nM 10.1016/j.ejmech.2013.01.044
None Unchecked Ki 41.0 nM 10.1021/jm8007618
None Unchecked Ki 176.0 nM 10.1021/np50094a001
None Unchecked Ki 2100000.0 nM 10.1021/acs.jmedchem.9b00131
None Unchecked Ki 36500000.0 nM 10.1021/jm00091a009
None Unchecked logEC50 1.43 None 10.1074/jbc.m707233200
None Unchecked logEC50 1.52 None 10.1074/jbc.m707233200
None Unchecked Potency 4610.9 nM None
None Unchecked Potency 18348.9 nM None
None Unchecked Ratio 800000.0 None 10.1021/jm00360a020
None Unchecked Ratio EC50 0.65 None 10.1021/jm701562x
None Unchecked Ratio EC50 13.6 None 10.1021/jm701562x
None Unchecked Ratio EC50 43.0 None 10.1021/jm701562x
None Unchecked Ratio EC50 554.0 None 10.1021/jm701562x
None Unchecked Ratio pIC50 1.0 None 10.1016/j.ejmech.2011.01.042
None Unchecked Ratio pIC50 3.0 None 10.1016/j.ejmech.2011.01.042
None Unchecked RUmax 100.0 % 10.1021/jm070447j
None Unchecked Selectivity 5.0 None 10.1021/jm00017a015

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001584 C1=NCCC1>>NCCCC(=O)O 1.5.1.35-RXN
AKRT002001 CC(=O)C(=O)O.CC(=O)O.Cc1ncsc1CCOP(=O)(O)O.NCCCC(=O)O>>CC(=O)OCC[C@H](N)C(=O)O MNXR146550
AKRT002083 CC(=O)C(=O)O.NCCCC(=O)O>>C[C@H](N)C(=O)O.O=CCCC(=O)O None
AKRT002400 CC(=O)NCCCC(=O)O>>NCCCC(=O)O RXN-36
AKRT004174 CC(=O)OCC[C@H](N)C(=O)O.O=P(O)(O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O>>NCCCC(=O)O MNXR144674
AKRT004850 CC(C)(CO)[C@@H](O)C(=O)C(CCN)C(=O)O>>NCCCC(=O)O MNXR133453
AKRT004871 CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)O>>NCCCC(=O)O enzymemap_76884
AKRT004880 CC(C)(CO)[C@@H](O)C(=O)OC(=O)CCCN>>NCCCC(=O)O enzymemap_76884
AKRT007497 CCCC=O.NCCCC(=O)O>>CCCCN.O=CCCC(=O)O None
AKRT010724 CNCCCC(=O)O>>NCCCC(=O)O RXN-13067
AKRT011561 COc1cc(C=O)ccc1O.NCCCC(=O)O>>COc1cc(CN)ccc1O.O=CCCC(=O)O None
AKRT015488 Cc1ncsc1CCOP(=O)(O)O.NCCCC(=O)O>>N[C@@H](CS)C(=O)O MNXR146550
AKRT015615 N#CCCCN>>NCCCC(=O)O enzymemap_79618
AKRT015873 N=C(N)NCCCC(=O)O>>NC(N)=O.NCCCC(=O)O None
AKRT015874 N=C(N)NCCCC(=O)O>>NCCCC(=O)O GUANIDINOBUTYRASE-RXN
AKRT016032 N=C(N)NCCC[C@H](N)C(=O)O.NCCCC(=O)O>>N=C(N)NCCCC(=O)O R01989
AKRT016113 N=C(N)NCCC[C@H](NC(=O)CCCN)C(=O)O>>NCCCC(=O)O 59628
AKRT017067 NC(=O)NCCCC(=O)O>>NCCCC(=O)O enzymemap_77672
AKRT017448 NC(N)=O.NCCCC(=O)O>>N=C(N)NCCCC(=O)O R01990
AKRT017861 NCCCC(=O)NCCCC(=O)O>>NCCCC(=O)O enzymemap_77553
AKRT017862 NCCCC(=O)N[C@@H](CCCN)C(=O)O>>NCCCC(=O)O 59624
AKRT017864 NCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O>>NCCCC(=O)O R01991
AKRT017866 NCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O>>NCCCC(=O)O enzymemap_66542
AKRT017868 NCCCC(=O)O.N=C(N)NCCC[C@H](N)C(=O)O>>N=C(N)NCCCC(=O)O enzymemap_28155
AKRT017869 NCCCC(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCCCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT017870 NCCCC(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O>>NCCCC(=O)OC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O enzymemap_90566
AKRT017871 NCCCC(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O>>N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCCCC(=O)O)C(=O)O enzymemap_90566
AKRT017872 NCCCC(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>N[C@@H](CCC(=O)NCCCC(=O)O)C(=O)O enzymemap_90494
AKRT017873 NCCCC(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)NCCCC(=O)O enzymemap_90510
AKRT017874 NCCCC(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O>>NCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O R01992
AKRT017875 NCCCC(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT017876 NCCCC(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O>>NCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O enzymemap_90312
AKRT017877 NCCCC(=O)O.O=C(O)CCC(=O)C(=O)O>>NCC[C@@H](O)C(=O)O.O=C(O)CCC(=O)O.O=C=O None
AKRT017878 NCCCC(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O GABATRANSAM-RXN
AKRT017879 NCCCC(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.O=CCCC(=O)O None
AKRT017880 NCCCC(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@H](CCC(=O)O)C(=O)O enzymemap_41779
AKRT017881 NCCCC(=O)O.O=C=O>>NCC(=O)O MNXR146550
AKRT017882 NCCCC(=O)O.O=CC(=O)O>>NCC(=O)O.O=CCCC(=O)O None
AKRT017883 NCCCC(=O)O>>C1=NCCC1 1.5.1.35-RXN
AKRT017884 NCCCC(=O)O>>CCCN enzymemap_82158
AKRT017885 NCCCC(=O)O>>NCCCC=O RXN-14209
AKRT017886 NCCCC(=O)O>>NCC[C@@H](O)C(=O)O enzymemap_10609
AKRT017887 NCCCC(=O)O>>O=C=O enzymemap_82158
AKRT017888 NCCCC(=O)O>>O=CCCC(=O)O 61280
AKRT017889 NCCCC(=O)[CoA]>>NCCCC(=O)O RXN-21419
AKRT017891 NCCCC(N)=O>>NCCCC(=O)O enzymemap_77163
AKRT017898 NCCCC=O>>NCCCC(=O)O AMINOBUTDEHYDROG-RXN
AKRT017925 NCCCCCC(=O)NCCCC(=O)O>>NCCCC(=O)O enzymemap_77554
AKRT018144 NCCCC[C@H](NC(=O)CCCN)C(=O)O>>NCCCC(=O)O 59620
AKRT018777 N[C@@H](CCC(=O)NCCCC(=O)O)C(=O)O>>NCCCC(=O)O RXN0-3942
AKRT019037 N[C@@H](CCC(=O)O)C(=O)NCCCC(=O)O>>NCCCC(=O)O enzymemap_78250
AKRT019236 N[C@@H](CCC(=O)O)C(=O)O>>NCCCC(=O)O GLUTDECARBOX-RXN
AKRT019237 N[C@@H](CCC(=O)O)C(=O)O>>NCCCC(=O)O.O=C=O None
AKRT023671 O=CCCC(=O)O>>NCCCC(=O)O R10178