Diotyrosine
AlkaPlorer ID: AK002747
Synonym: None
IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
Structure
SMILES: N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)O
InChI: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
InChIKey: NYPYHUZRZVSYKL-ZETCQYMHSA-N
Reference
A community-driven global reconstruction of human metabolism
PubChem CID: 9305
CAS: 300-39-0
LOTUS: LTS0004363
SuperNatural Ⅲ: SN0258707-02
NPASS: NPC327360
Source
Properties Information
Molecule Weight: 432.98300000000006
TPSA？: 83.55
MolLogP？: 1.5557999999999998
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 63095.7 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 11220.2 | nM | None |
| Homo sapiens | ATP-dependent DNA helicase Q1 | Potency | 35481.3 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 15848.9 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 56234.1 | nM | None |
| Homo sapiens | DNA polymerase eta | Potency | 30131.3 | nM | None |
| Homo sapiens | DNA polymerase eta | Potency | 39810.7 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 28183.8 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 31622.8 | nM | None |
| Homo sapiens | DNA polymerase kappa | Potency | 39810.7 | nM | None |
| Homo sapiens | DNA polymerase kappa | Potency | 50118.7 | nM | None |
| Homo sapiens | Eyes absent homolog 2 | Potency | 9530.0 | nM | None |
| Homo sapiens | Flap endonuclease 1 | Potency | 7943.3 | nM | None |
| Homo sapiens | Flap endonuclease 1 | Potency | 60119.8 | nM | None |
| Homo sapiens | Flap endonuclease 1 | Potency | 79432.8 | nM | None |
| Homo sapiens | Geminin | Potency | 2059.6 | nM | None |
| Homo sapiens | Geminin | Potency | 31622.8 | nM | None |
| Homo sapiens | Glutaminase kidney isoform, mitochondrial | Potency | 12589.3 | nM | None |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 35481.3 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 6309.6 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 5623.4 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 11220.2 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 28183.8 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 39810.7 | nM | None |
| Homo sapiens | Regulator of G-protein signaling 12 | Potency | 2818.4 | nM | None |
| Homo sapiens | Runt-related transcription factor 1/Core-binding factor subunit beta | Potency | 39810.7 | nM | None |
| Homo sapiens | Transcriptional regulator ERG | Potency | 11220.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 12589.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29092.9 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 44668.4 | nM | None |
| Homo sapiens | Vitamin D receptor | Potency | 50118.7 | nM | None |
| Homo sapiens | Werner syndrome ATP-dependent helicase | Potency | 21192.3 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 12589.3 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 70794.6 | nM | None |
| None | Unchecked | Ac50 | 1.413 | uM | None |
| None | Unchecked | Ac50 | 10.0 | uM | None |
| None | Unchecked | Ac50 | 39.81 | uM | None |
| None | Unchecked | AC50 | 1412.5 | nM | None |
| None | Unchecked | AC50 | 10000.0 | nM | None |
| None | Unchecked | AC50 | 39810.7 | nM | None |
| None | Unchecked | Potency | 2511.9 | nM | None |
| None | Unchecked | Potency | 8493.6 | nM | None |