BioLiP

PDB

BioLiP

PDB CCD ID:

94V

Number of entries in BioLiP:

Chemical formula:

C10 H7 Br Cl N3 O3 S2

InChI:

InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-4-2-1-3-6(7)12/h1-5H,(H2,13,14,15,16)

InChIKey:

NFXDNHRCLVIUNW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccccc1[S](=O)(=O)NC(=O)Nc2sc(Br)cn2
ACDLabs 12.01	c1(sc(nc1)NC(=O)NS(c2ccccc2Cl)(=O)=O)Br
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl

Name:

N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide

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).