Structure of PDB 2j08 Chain A Binding Site BS02 |
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| Ligand ID | IRF |
| InChI | InChI=1S/C16H17IN4O6/c1-6-2-8-9(3-7(6)17)21(4-10(23)13(25)11(24)5-22)14-12(18-8)15(26)20-16(27)19-14/h2-3,10-11,13,22-25H,4-5H2,1H3,(H,20,26,27)/t10-,11+,13-/m0/s1 |
| InChIKey | GXUZMSUHTJJUNU-LOWVWBTDSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO)c2cc1I | | OpenEye OEToolkits 1.5.0 | Cc1cc2c(cc1I)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O | | CACTVS 3.341 | Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1I | | OpenEye OEToolkits 1.5.0 | Cc1cc2c(cc1I)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O | | ACDLabs 10.04 | Ic2cc1N(C3=NC(=O)NC(=O)C3=Nc1cc2C)CC(O)C(O)C(O)CO |
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| Formula | C16 H17 I N4 O6 |
| Name | 1-DEOXY-1-(8-IODO-7-METHYL-2,4-DIOXO-3,4-DIHYDROBENZO[G]PTERIDIN-10(2H)-YL)-D-RIBITOL;
8-IODO-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL) |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000034951247
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| PDB chain | 2j08 Chain A Residue 1422
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