Structure of PDB 3fow Chain B Binding Site BS01 |
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| Ligand ID | IMH |
| InChI | InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1 |
| InChIKey | IWKXDMQDITUYRK-KUBHLMPHSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1c(c2c([nH]1)C(=O)NC=N2)C3C(C(C(N3)CO)O)O | | CACTVS 3.385 | OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c2c[nH]c3C(=O)NC=Nc23 | | ACDLabs 12.01 | OC1C(NC(CO)C1O)c1c[NH]c2c1N=CNC2=O | | OpenEye OEToolkits 2.0.7 | c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O | | CACTVS 3.385 | OC[CH]1N[CH]([CH](O)[CH]1O)c2c[nH]c3C(=O)NC=Nc23 |
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| Formula | C11 H14 N4 O4 |
| Name | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL;
Forodesine;
Immucillin H |
| ChEMBL | CHEMBL218291 |
| DrugBank | DB06185 |
| ZINC | ZINC000013492899
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| PDB chain | 3fow Chain B Residue 276
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