BioLiP

PDB

BioLiP

PDB CCD ID:

PWJ

Number of entries in BioLiP:

Chemical formula:

C9 H3 Cl F3 N3

InChI:

InChI=1S/C9H3ClF3N3/c10-7-5(3-14)6(9(11,12)13)4-16-2-1-15-8(7)16/h1-2,4H

InChIKey:

LZNKCWCPVGMYFS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	FC(F)(F)c1cn2ccnc2c(Cl)c1C#N
ACDLabs 12.01	n21c(ncc1)c(c(c(c2)C(F)(F)F)C#N)Cl
OpenEye OEToolkits 2.0.6	c1cn2cc(c(c(c2n1)Cl)C#N)C(F)(F)F

Name:

8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile

ZINC:

ZINC000043827502

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).