SEQ2FUN

BioLiP

PDB CCD ID: Y0R
Number of entries in BioLiP: 4
Chemical formula: C13 H12 N4 O2 S2
InChI: InChI=1S/C13H12N4O2S2/c1-9-2-4-10(5-3-9)17-8-11(15-16-17)12-6-7-13(20-12)21(14,18)19/h2-8H,1H3,(H2,14,18,19)
InChIKey: SEKFZZJSHYKIBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(cc1)n2cc(nn2)c3sc(cc3)[S](N)(=O)=O
OpenEye OEToolkits 1.7.6Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N
Name:5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
ChEMBL: CHEMBL2414065
ZINC: ZINC000096913508
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).