BioLiP

PDB

BioLiP

PDB CCD ID:

A1BZD

Number of entries in BioLiP:

Chemical formula:

C16 H13 F3 N4 O3

InChI:

InChI=1S/C16H13F3N4O3/c17-16(18,19)10-5-11(13-7-20-9-26-13)14-21-6-12(23(14)8-10)15(24)22-1-3-25-4-2-22/h5-9H,1-4H2

InChIKey:

GILHOIQFFNXIHR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C(c1cnc2c(cc(cn12)C(F)(F)F)c1cnco1)N1CCOCC1
OpenEye OEToolkits 3.1.0.0	c1c(cn2c(cnc2c1c3cnco3)C(=O)N4CCOCC4)C(F)(F)F
CACTVS 3.385	FC(F)(F)c1cn2c(cnc2c(c1)c3ocnc3)C(=O)N4CCOCC4

Name:

(morpholin-4-yl)[(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

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).