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BioLiP

PDB CCD ID: FM2
Number of entries in BioLiP: 6
Chemical formula: C11 H16 N5 O4
InChI: InChI=1S/C11H15N5O4/c1-16-3-13-5-6(14-15-7(5)11(16)12)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H2,12,14,15)/p+1/t4-,8-,9-,10+/m1/s1
InChIKey: UHYKIYIKTWEXSX-LFAOKBQASA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[n+]1cnc2c(c1N)[nH]nc2C3C(C(C(O3)CO)O)O
OpenEye OEToolkits 1.5.0C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
ACDLabs 10.04OC1C(OC(CO)C1O)c3nnc2c(N)[n+](cnc23)C
CACTVS 3.341C[n+]1cnc2c([nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O)c1N
CACTVS 3.341C[n+]1cnc2c([nH]nc2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c1N
Name:2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL;
6-METHYL-FORMYCIN A
DrugBank: DB03986
ZINC: ZINC000004617929
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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