BioLiP

PDB

BioLiP

PDB CCD ID:

A1BY9

Number of entries in BioLiP:

Chemical formula:

C13 H10 F3 N3 O2

InChI:

InChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-9(10-5-17-6-21-10)18-11(4-8)19-12(20)7-1-2-7/h3-7H,1-2H2,(H,18,19,20)

InChIKey:

ZFIYGIJALJMZIZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	FC(F)(F)c1cc(nc(c1)c1cnco1)NC(=O)C1CC1
OpenEye OEToolkits 3.1.0.0	c1c(cc(nc1c2cnco2)NC(=O)C3CC3)C(F)(F)F
CACTVS 3.385	FC(F)(F)c1cc(NC(=O)C2CC2)nc(c1)c3ocnc3

Name:

N-[6-(1,3-oxazol-5-yl)-4-(trifluoromethyl)pyridin-2-yl]cyclopropanecarboxamide

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).