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BioLiP

PDB CCD ID: 7O8
Number of entries in BioLiP: 1
Chemical formula: C11 H10 Cl N O2 S3
InChI: InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
InChIKey: YITSBZGLCZKZEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1sc(SCc2ccc(Cl)cc2)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl
Name:5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
ChEMBL: CHEMBL3947437
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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