Structure of PDB 2gcq Chain A Binding Site BS02 |
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| Ligand ID | DOI |
| InChI | InChI=1S/C10H14N4O10P2/c15-5-1-7(23-6(5)2-22-25(16,17)18)14-4-13-8-9(14)11-3-12-10(8)24-26(19,20)21/h3-7,15H,1-2H2,(H2,16,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1 |
| InChIKey | GEECATYOCBMMIR-RRKCRQDMSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(O[P](O)(O)=O)ncnc23 | | OpenEye OEToolkits 1.5.0 | c1nc2c(c(n1)OP(=O)(O)O)ncn2C3CC(C(O3)COP(=O)(O)O)O | | OpenEye OEToolkits 1.5.0 | c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O | | CACTVS 3.341 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(O[P](O)(O)=O)ncnc23 | | ACDLabs 10.04 | O=P(O)(O)Oc3ncnc1c3ncn1C2OC(C(O)C2)COP(=O)(O)O |
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| Formula | C10 H14 N4 O10 P2 |
| Name | 9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-9H-PURINE;
2'-DEOXY-IMP |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000016051930
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| PDB chain | 2gcq Chain A Residue 451
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