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BioLiP

PDB CCD ID: QZ8
Number of entries in BioLiP: 1
Chemical formula: C13 H11 N3 O
InChI: InChI=1S/C13H11N3O/c1-8-12-10(9-5-3-2-4-6-9)7-11(17)14-13(12)16-15-8/h2-7H,1H3,(H2,14,15,16,17)
InChIKey: LDYQYDPPCHEKQY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3
CACTVS 3.385Cc1[nH]nc2NC(=O)C=C(c3ccccc3)c12
Name:3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
ChEMBL: CHEMBL4635464
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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