SEQ2FUN

BioLiP

PDB CCD ID: SNJ
Number of entries in BioLiP: 1
Chemical formula: C15 H12 N2 O
InChI: InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey: MZKALFCNIJHTJG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1CC(=NN1c2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.6c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3
Name:2,5-diphenyl-4~{H}-pyrazol-3-one
ChEMBL: CHEMBL223155
ZINC: ZINC000018158601
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).