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BioLiP

PDB CCD ID: V8O
Number of entries in BioLiP: 8
Chemical formula: C19 H15 N3 O2 S2
InChI: InChI=1S/C19H15N3O2S2/c1-12-10-13(17-7-8-18(25-17)26(20,23)24)11-22-19(12)15-4-2-6-16-14(15)5-3-9-21-16/h2-11H,1H3,(H2,20,23,24)
InChIKey: FBQWYQWUVBYRAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(cnc1c2cccc3ncccc23)c4sc(cc4)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7Cc1cc(cnc1c2cccc3c2cccn3)c4ccc(s4)S(=O)(=O)N
Name:5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide
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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