SEQ2FUN

BioLiP

PDB CCD ID: 8GH
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N3 O2 S
InChI: InChI=1S/C16H15N3O2S/c17-22(20,21)16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-19-11-1-10-18-19/h1-11H,12H2,(H2,17,20,21)
InChIKey: ISHVKZQPCLEIEP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)c2ccc(Cn3cccn3)cc2
OpenEye OEToolkits 2.0.6c1cnn(c1)Cc2ccc(cc2)c3ccc(cc3)S(=O)(=O)N
Name:4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
ChEMBL: CHEMBL3763884
ZINC: ZINC000653689012
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).