SEQ2FUN

BioLiP

PDB CCD ID: KWY
Number of entries in BioLiP: 1
Chemical formula: C26 H25 N3 O
InChI: InChI=1S/C26H25N3O/c1-26(2,3)21-16-14-20(15-17-21)25(30)27-24-18-23(19-10-6-4-7-11-19)28-29(24)22-12-8-5-9-13-22/h4-18H,1-3H3,(H,27,30)
InChIKey: GTSXKUJFTQTICP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CC(c4ccc(C(=O)Nc3cc(c1ccccc1)nn3c2ccccc2)cc4)(C)C
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4
Name:4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
ChEMBL: CHEMBL1475114
ZINC: ZINC000008598819
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).