Structure of PDB 7ujk Chain A Binding Site BS05 |
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| Ligand ID | NB9 |
| InChI | InChI=1S/C24H28N4O6/c25-22(26)16-3-5-17(6-4-16)23(32)27-20(13-15-1-7-18(29)8-2-15)24(33)28-11-9-19(10-12-28)34-14-21(30)31/h1-8,19-20,29H,9-14H2,(H3,25,26)(H,27,32)(H,30,31)/t20-/m0/s1 |
| InChIKey | FPKOGTAFKSLZLD-FQEVSTJZSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | [H]/N=C(\c1ccc(cc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N3CCC(CC3)OCC(=O)O)/N | | ACDLabs 12.01 | O=C(C(Cc1ccc(O)cc1)NC(=O)c1ccc(cc1)C(=N)N)N1CCC(OCC(=O)O)CC1 | | CACTVS 3.385 | NC(=N)c1ccc(cc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)OCC(O)=O | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1CC(C(=O)N2CCC(CC2)OCC(=O)O)NC(=O)c3ccc(cc3)C(=N)N)O | | CACTVS 3.385 | NC(=N)c1ccc(cc1)C(=O)N[CH](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)OCC(O)=O |
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| Formula | C24 H28 N4 O6 |
| Name | Lamifiban;
({1-[N-(4-carbamimidoylbenzoyl)-L-tyrosyl]piperidin-4-yl}oxy)acetic acid |
| ChEMBL | CHEMBL108111 |
| DrugBank | |
| ZINC |
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| PDB chain | 7ujk Chain B Residue 2005
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