SEQ2FUN

BioLiP

PDB CCD ID: BX4
Number of entries in BioLiP: 2
Chemical formula: C12 H12 N2 O2 S
InChI: InChI=1S/C12H12N2O2S/c13-11-3-1-2-10(8-11)9-4-6-12(7-5-9)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
InChIKey: BJLAHYUZLVYPAA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cc(c1)N)c2ccc(cc2)S(=O)(=O)N
CACTVS 3.385Nc1cccc(c1)c2ccc(cc2)[S](N)(=O)=O
ACDLabs 12.01S(=O)(N)(=O)c1ccc(cc1)c2cccc(c2)N
Name:3'-aminobiphenyl-4-sulfonamide
ChEMBL: CHEMBL3763967
ZINC: ZINC000263620270
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).