BioLiP

PDB

BioLiP

PDB CCD ID:

7O8

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1sc(SCc2ccc(Cl)cc2)cc1
OpenEye OEToolkits 2.0.6	c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl

Name:

5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide

ChEMBL:

CHEMBL3947437

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).