SEQ2FUN

BioLiP

PDB CCD ID: 72E
Number of entries in BioLiP: 2
Chemical formula: C13 H13 N O2 S
InChI: InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)
InChIKey: YPAQIAZVIPIPPM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1ccccc1c2ccc(cc2)S(=O)(=O)N
CACTVS 3.385Cc1ccccc1c2ccc(cc2)[S](N)(=O)=O
ACDLabs 12.01Cc1c(cccc1)c2ccc(S(=O)(=O)N)cc2
Name:4-(2-methylphenyl)-benzenesulfonamide;
2'-methyl[1,1'-biphenyl]-4-sulfonamide
ChEMBL: CHEMBL3764580
ZINC: ZINC000165648237
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).