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BioLiP

PDB CCD ID: SP0
Number of entries in BioLiP: 1
Chemical formula: C19 H13 F2 N3 O2 S2
InChI: InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H
InChIKey: GULUFDCOGAXLEP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Fc1ccc(cc1)n2nc(cc2N[S](=O)(=O)c3cccc(F)c3)c4sccc4
OpenEye OEToolkits 1.5.0c1cc(cc(c1)S(=O)(=O)Nc2cc(nn2c3ccc(cc3)F)c4cccs4)F
ACDLabs 10.04Fc1cccc(c1)S(=O)(=O)Nc3n(nc(c2sccc2)c3)c4ccc(F)cc4
Name:3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE
ChEMBL: CHEMBL378160
DrugBank: DB08560
ZINC: ZINC000001047087
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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