BioLiP

PDB

BioLiP

PDB CCD ID:

95G

Number of entries in BioLiP:

Chemical formula:

C14 H10 Br Cl2 N5 O4 S2

InChI:

InChI=1S/C14H10BrCl2N5O4S2/c1-22-12(10(16)11(17)20-22)26-7-2-4-8(5-3-7)28(24,25)21-13(23)19-14-18-6-9(15)27-14/h2-6H,1H3,(H2,18,19,21,23)

InChIKey:

PRZBYMWCBKOTJZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1nc(Cl)c(Cl)c1Oc2ccc(cc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3
OpenEye OEToolkits 2.0.6	Cn1c(c(c(n1)Cl)Cl)Oc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br
ACDLabs 12.01	c2(Oc1c(c(Cl)nn1C)Cl)ccc(cc2)S(NC(=O)Nc3sc(cn3)Br)(=O)=O

Name:

N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-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).