BioLiP

PDB

BioLiP

PDB CCD ID:

A1BZA

Number of entries in BioLiP:

Chemical formula:

C17 H10 Cl F3 N2 O2

InChI:

InChI=1S/C17H10ClF3N2O2/c18-13-3-1-2-10(5-13)16(24)23-14-6-11(15-8-22-9-25-15)4-12(7-14)17(19,20)21/h1-9H,(H,23,24)

InChIKey:

ZLCQVWFLQXJOKN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	Clc1cccc(c1)C(=O)Nc1cc(cc(c1)c1cnco1)C(F)(F)F
CACTVS 3.385	FC(F)(F)c1cc(NC(=O)c2cccc(Cl)c2)cc(c1)c3ocnc3
OpenEye OEToolkits 3.1.0.0	c1cc(cc(c1)Cl)C(=O)Nc2cc(cc(c2)C(F)(F)F)c3cnco3

Name:

3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide

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).