SEQ2FUN

BioLiP

PDB CCD ID: 87B
Number of entries in BioLiP: 3
Chemical formula: C17 H17 N3 O2 S
InChI: InChI=1S/C17H17N3O2S/c21-23(22,14-7-2-1-3-8-14)20-13-9-10-15-16(11-13)19-17(18-15)12-5-4-6-12/h1-3,7-12,20H,4-6H2,(H,18,19)
InChIKey: JZOKLZGVRONABT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)nc([nH]3)C4CCC4
CACTVS 3.385O=[S](=O)(Nc1ccc2[nH]c(nc2c1)C3CCC3)c4ccccc4
Name:N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide
ZINC: ZINC000176582244
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).