BioLiP

PDB

BioLiP

PDB CCD ID:

QMY

Number of entries in BioLiP:

Chemical formula:

C18 H15 F2 N5

InChI:

InChI=1S/C18H15F2N5/c1-12-3-2-4-14(23-12)17-18(25(11-22-17)10-15(19)20)13-5-6-16-21-7-8-24(16)9-13/h2-9,11,15H,10H2,1H3

InChIKey:

WLMJUROXDOGLTR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3
ACDLabs 12.01	C(C(F)F)n3c(c1ccc2n(c1)ccn2)c(nc3)c4cccc(C)n4
CACTVS 3.385	Cc1cccc(n1)c2ncn(CC(F)F)c2c3ccc4nccn4c3

Name:

6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine

ChEMBL:

CHEMBL4458215

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).