BioLiP

PDB

BioLiP

PDB CCD ID:

A1L04

Number of entries in BioLiP:

Chemical formula:

C16 H9 Cl F3 N O3

InChI:

InChI=1S/C16H9ClF3NO3/c17-9-3-1-8(2-4-9)13-14(24-21-15(13)16(18,19)20)11-6-5-10(22)7-12(11)23/h1-7,22-23H

InChIKey:

BYNUBBWBGHJHNP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(c(O)c1)c2onc(c2c3ccc(Cl)cc3)C(F)(F)F
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2c(onc2C(F)(F)F)c3ccc(cc3O)O)Cl

Name:

4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol

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).