BioLiP

PDB

BioLiP

PDB CCD ID:

X7C

Number of entries in BioLiP:

Chemical formula:

C12 H5 Cl F2 N2 S

InChI:

InChI=1S/C12H5ClF2N2S/c13-6-4-9-12(16-5-18-9)17-11(6)10-7(14)2-1-3-8(10)15/h1-5H

InChIKey:

GXXFOBBMWYBHKQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)F)c2c(cc3c(n2)ncs3)Cl)F
CACTVS 3.385	Fc1cccc(F)c1c2nc3ncsc3cc2Cl

Name:

5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine

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).