BioLiP

PDB

BioLiP

PDB CCD ID:

PM1

Number of entries in BioLiP:

Chemical formula:

C21 H13 F2 N3 O2

InChI:

InChI=1S/C21H13F2N3O2/c22-14-7-4-8-15(23)17(14)19(27)13-9-10-16-25-21(24)18(26(16)11-13)20(28)12-5-2-1-3-6-12/h1-11H,24H2

InChIKey:

WUGJIPFLBOATGL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Fc1cccc(F)c1C(=O)c2ccc3nc(c(n3c2)C(=O)c4ccccc4)N
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N
CACTVS 3.341	Nc1nc2ccc(cn2c1C(=O)c3ccccc3)C(=O)c4c(F)cccc4F

Name:

[2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE

ChEMBL:

CHEMBL189607

DrugBank:

DB04006

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).