Structure of PDB 1pr1 Chain C Binding Site BS02 |
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Ligand ID | FMB |
InChI | InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1 |
InChIKey | MTCJZZBQNCXKAP-KSYZLYKTSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | C1=Nc2c(n[nH]c2C(=O)N1)C3C(C(C(O3)CO)O)O | CACTVS 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)c2n[nH]c3C(=O)NC=Nc23 | ACDLabs 10.04 | O=C1NC=Nc2c1nnc2C3OC(CO)C(O)C3O | CACTVS 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2n[nH]c3C(=O)NC=Nc23 | OpenEye OEToolkits 1.5.0 | C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
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Formula | C10 H12 N4 O5 |
Name | FORMYCIN B |
ChEMBL | CHEMBL1232777 |
DrugBank | DB04198 |
ZINC | ZINC000008577182
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PDB chain | 1pr1 Chain C Residue 247
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