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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 72H
Number of entries in BioLiP: 2
Chemical formula: C15 H12 N2 O2 S
InChI: InChI=1S/C15H12N2O2S/c16-20(18,19)14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,(H2,16,18,19)
InChIKey: HGZKFXIUXSUJHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccc2c(c1)cc(cn2)c3ccc(cc3)S(=O)(=O)N
ACDLabs 12.01c2c1ccccc1ncc2c3ccc(S(=O)(=O)N)cc3
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)c2cnc3ccccc3c2
Name:4-(3-quinolinyl)-benzenesulfonamide;
4-(quinolin-3-yl)benzene-1-sulfonamide
ChEMBL: CHEMBL3764628
ZINC: ZINC000584905023

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).
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