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| Ligand ID | CRU |
| InChI | InChI=1S/C16H15N3O6/c17-11(5-6-13(21)22)15-18-12(16(25)19(15)8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,7,17,20H,5-6,8H2,(H,21,22)(H,23,24)/b12-7+,17-11- |
| InChIKey | HQWMTGYOYORUQE-ZLCHUIHLSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | c1cc(ccc1C=C2C(=O)N(C(=N2)C(=N)CCC(=O)O)CC(=O)O)O | | OpenEye OEToolkits 1.7.2 | [H]/N=C(/CCC(=O)O)\C1=N/C(=C/c2ccc(cc2)O)/C(=O)N1CC(=O)O | | CACTVS 3.370 | OC(=O)CCC(=N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O | | CACTVS 3.370 | OC(=O)CCC(=N)C1=N\C(=C\c2ccc(O)cc2)C(=O)N1CC(O)=O | | ACDLabs 12.01 | O=C1C(\N=C(C(=[N@H])CCC(=O)O)N1CC(=O)O)=C/c2ccc(O)cc2 |
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| Formula | C16 H15 N3 O6 |
| Name | 4-[(4Z)-1-(CARBOXYMETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL]-4-IMINOBUTANOIC ACID;
CHROMOPHORE (GLU-TYR-GLY) |
| ChEMBL | |
| DrugBank | DB04668 |
| ZINC |
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| PDB chain | 8tjh Chain B Residue 300
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