Structure of PDB 1max Chain A Binding Site BS02 |
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| Ligand ID | ZAP |
| InChI | InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1 |
| InChIKey | FSNDLCSOLUMYRH-OAHLLOKOSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | NC(=N)c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)[P](O)(O)=O | | OpenEye OEToolkits 1.5.0 | [H]/N=C(\c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)P(=O)(O)O)/N | | ACDLabs 10.04 | O=P(O)(O)C(c1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2 | | CACTVS 3.341 | NC(=N)c1ccc(cc1)[CH](NC(=O)OCc2ccccc2)[P](O)(O)=O | | OpenEye OEToolkits 1.5.0 | [H]N=C(c1ccc(cc1)C(NC(=O)OCc2ccccc2)P(=O)(O)O)N |
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| Formula | C16 H18 N3 O5 P |
| Name | [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE;
Z-AMIDINOPHENYLMETHANE-PHOSPHONATE |
| ChEMBL | |
| DrugBank | DB08763 |
| ZINC | ZINC000031260847
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| PDB chain | 1max Chain A Residue 247
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