| PDB CCD ID: | KYN |
| Number of entries in BioLiP: | 35 |
| Chemical formula: | C10 H12 N2 O3 |
| InChI: | InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1 |
| InChIKey: | YGPSJZOEDVAXAB-QMMMGPOBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1ccc(c(c1)C(=O)CC(C(=O)O)N)N | | CACTVS 3.370 | N[C@@H](CC(=O)c1ccccc1N)C(O)=O | | ACDLabs 12.01 | O=C(c1ccccc1N)CC(C(=O)O)N | | CACTVS 3.370 | N[CH](CC(=O)c1ccccc1N)C(O)=O | | OpenEye OEToolkits 1.7.6 | c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N |
|
| Name: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid;
L-KYNURENINE |
| ChEMBL: | CHEMBL498416 |
| DrugBank: | DB02070 |
| ZINC: | ZINC000000895186 |
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