Molecule

Asp-Asp

AlkaPlorer ID: AK108736

Synonym: 'L-Asp-L-Asp', 'DD', 'D-D'

IUPAC Name: (2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]butanedioic acid

SMILES: N[C@@H](CC(=O)O)C(O)=N[C@@H](CC(=O)O)C(=O)O

InChI: InChI=1S/C8H12N2O7/c9-3(1-5(11)12)7(15)10-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H,10,15)(H,11,12)(H,13,14)(H,16,17)/t3-,4-/m0/s1

InChIKey: FRYULLIZUDQONW-IMJSIDKUSA-N

PubChem CID: 471583

CAS: 108867-30-7

LOTUS: LTS0079300

NPASS: NPC327831

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 248.191

TPSA？: 170.51

MolLogP？: -1.3271999999999988

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	Carbonic anhydrase IV	KA	51.0	uM	10.1016/s0960-894x(02)00121-x
Homo sapiens	Carbonic anhydrase I	KA	39.0	uM	10.1016/s0960-894x(02)00121-x
Homo sapiens	Carbonic anhydrase II	KA	21.0	uM	10.1016/s0960-894x(02)00121-x
Homo sapiens	Oligopeptide transporter small intestine isoform	EC50	990000.0	nM	10.1021/jm0511029
Homo sapiens	Oligopeptide transporter small intestine isoform	IC50	630000.0	nM	10.1021/jm0511029
Homo sapiens	Oligopeptide transporter small intestine isoform	Ki	410000.0	nM	10.1021/jm030976x
Homo sapiens	Oligopeptide transporter small intestine isoform	Ki	410000.0	nM	10.1021/jm048982w
Homo sapiens	Oligopeptide transporter small intestine isoform	max activation	99.0	%	10.1021/jm0511029
Homo sapiens	Oligopeptide transporter small intestine isoform	Ratio	100.0	None	10.1021/jm0511029
Homo sapiens	Solute carrier family 15 member 2	Ki	150000.0	nM	10.1016/j.bmc.2011.06.027
Homo sapiens	Solute carrier family 15 member 2	Ki	151356.12	nM	10.1016/j.bmc.2011.06.027
Rattus norvegicus	Glutamate carboxypeptidase II	Inhibition	42.0	%	10.1021/jm000406m
Rattus norvegicus	Oligopeptide transporter, kidney isoform	Ki	150000.0	nM	10.1007/s004240000339
Rattus norvegicus	Solute carrier family 15 member 1	Ki	990000.0	nM	10.1007/s004240000339

AKRT ID	Reaction	Reaction Link ID
AKRT018643	N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O>>N[C@@H](CC(=O)O)C(=O)O	enzymemap_66480