SEQ2FUN

BioLiP

PDB CCD ID: BC5
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O2 S
InChI: InChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
InChIKey: OFWFFDCOBHXZME-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01S(=O)(N)(=O)c1ccc(cc1)c2ccc(cc2)N
CACTVS 3.385Nc1ccc(cc1)c2ccc(cc2)[S](N)(=O)=O
OpenEye OEToolkits 1.9.2c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)N
Name:4'-aminobiphenyl-4-sulfonamide
ChEMBL: CHEMBL3632831
ZINC: ZINC000003888725
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).