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BioLiP

PDB CCD ID: QYB
Number of entries in BioLiP: 2
Chemical formula: C11 H8 N4 O
InChI: InChI=1S/C11H8N4O/c16-11-8-9(7-4-2-1-3-5-7)14-15-10(8)12-6-13-11/h1-6H,(H2,12,13,14,15,16)
InChIKey: KCPLJPHQKPGNHT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O
CACTVS 3.385O=C1NC=Nc2n[nH]c(c3ccccc3)c12
Name:3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one;
3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
ChEMBL: CHEMBL2432026
ZINC: ZINC000089222701
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)(download the PDF file).
  • 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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