BioLiP

PDB

BioLiP

PDB CCD ID:

Q9T

Number of entries in BioLiP:

Chemical formula:

C10 H4 Br2 F3 N O2

InChI:

InChI=1S/C10H4Br2F3NO2/c11-4-1-5(9(17)6(12)2-4)7-3-8(16-18-7)10(13,14)15/h1-3,17H

InChIKey:

UPPPIWMLZRPTQQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1c(Br)cc(Br)cc1c2onc(c2)C(F)(F)F
OpenEye OEToolkits 2.0.6	c1c(cc(c(c1c2cc(no2)C(F)(F)F)O)Br)Br

Name:

2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol

ZINC:

ZINC000012428294

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).