Structure of PDB 3zr0 Chain B Binding Site BS01 |
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| Ligand ID | 8OG |
| InChI | InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1 |
| InChIKey | AQIVLFLYHYFRKU-VPENINKCSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)N1 | | OpenEye OEToolkits 1.5.0 | C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O | | OpenEye OEToolkits 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O | | CACTVS 3.341 | NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)C(=O)N1 | | ACDLabs 10.04 | O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O |
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| Formula | C10 H14 N5 O8 P |
| Name | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE;
8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE |
| ChEMBL | |
| DrugBank | DB02023 |
| ZINC |
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| PDB chain | 3zr0 Chain B Residue 1157
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