BioLiP

PDB

BioLiP

PDB CCD ID:

A1AZP

Number of entries in BioLiP:

Chemical formula:

C16 H15 F3 N4

InChI:

InChI=1S/C16H15F3N4/c1-9(2)10-3-4-13-14(22-8-23(13)7-10)11-5-12(16(17,18)19)15(20)21-6-11/h3-9H,1-2H3,(H2,20,21)

InChIKey:

MQVIMOBDRXHSME-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)c1ccc2n(cnc2c3cnc(N)c(c3)C(F)(F)F)c1
OpenEye OEToolkits 2.0.7	CC(C)c1ccc2c(ncn2c1)c3cc(c(nc3)N)C(F)(F)F
ACDLabs 12.01	FC(F)(F)c1cc(cnc1N)c1ncn2cc(ccc12)C(C)C

Name:

(5P)-5-[(4R)-6-(propan-2-yl)imidazo[1,5-a]pyridin-1-yl]-3-(trifluoromethyl)pyridin-2-amine

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).