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BioLiP

PDB CCD ID: YKU
Number of entries in BioLiP: 3
Chemical formula: C23 H16 N4 O
InChI: InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)
InChIKey: BKUIZWILNWHFHD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N#Cc1cccc(c1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1
CACTVS 3.385O=C(Nc1cc(nn1c2ccccc2)c3ccccc3)c4cccc(c4)C#N
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4cccc(c4)C#N
Name:3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
ChEMBL: CHEMBL190270
ZINC: ZINC000003986698
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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