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BioLiP

PDB CCD ID: Z27
Number of entries in BioLiP: 3
Chemical formula: C20 H10 Cl3 F3 N2 O2 S3
InChI: InChI=1S/C20H10Cl3F3N2O2S3/c21-11-2-4-17-15(8-11)27-19(32-17)31-16-5-3-12(9-13(16)22)28-33(29,30)18-6-1-10(7-14(18)23)20(24,25)26/h1-9,28H
InChIKey: BYUHFXVHEGWPSE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02FC(F)(F)c1ccc(c(Cl)c1)S(=O)(=O)Nc4ccc(Sc2nc3cc(Cl)ccc3s2)c(Cl)c4
CACTVS 3.352FC(F)(F)c1ccc(c(Cl)c1)[S](=O)(=O)Nc2ccc(Sc3sc4ccc(Cl)cc4n3)c(Cl)c2
OpenEye OEToolkits 1.7.0c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)Nc2ccc(c(c2)Cl)Sc3nc4cc(ccc4s3)Cl
Name:2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide
ChEMBL: CHEMBL1236927
ZINC: ZINC000037868313
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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