SEQ2FUN

BioLiP

PDB CCD ID: SFY
Number of entries in BioLiP: 12
Chemical formula: C11 H11 N3 O2 S
InChI: InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
InChIKey: GECHUMIMRBOMGK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(Nc1ncccc1)c2ccc(N)cc2
CACTVS 3.370Nc1ccc(cc1)[S](=O)(=O)Nc2ccccn2
OpenEye OEToolkits 1.7.6c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N
Name:4-amino-N-(pyridin-2-yl)benzenesulfonamide;
Sulfapyridine
ChEMBL: CHEMBL700
DrugBank: DB00891
ZINC: ZINC000000002105
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).