Structure of PDB 1k9s Chain D Binding Site BS03 |
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Ligand ID | FM1 |
InChI | InChI=1S/C11H15N5O4/c1-12-11-7-5(13-3-14-11)6(15-16-7)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H,15,16)(H,12,13,14)/t4-,8-,9-,10+/m1/s1 |
InChIKey | JRRNRCMIBCSOIH-LFAOKBQASA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | CNc1c2c(c(n[nH]2)C3C(C(C(O3)CO)O)O)ncn1 | ACDLabs 10.04 | OC1C(OC(CO)C1O)c3nnc2c3ncnc2NC | CACTVS 3.341 | CNc1ncnc2c1[nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O | CACTVS 3.341 | CNc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O | OpenEye OEToolkits 1.5.0 | CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1 |
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Formula | C11 H15 N5 O4 |
Name | 2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3,4-DIOL; N7-METHYL-FORMYCIN A |
ChEMBL | CHEMBL1232774 |
DrugBank | DB02066 |
ZINC | ZINC000005888080
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PDB chain | 1k9s Chain D Residue 9907
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