BioLiP

PDB

BioLiP

PDB CCD ID:

UJZ

Number of entries in BioLiP:

Chemical formula:

C8 H4 Br F3 N2

InChI:

InChI=1S/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)

InChIKey:

HYTQERQCUFICAX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F
CACTVS 3.385	FC(F)(F)c1cc(Br)c2nc[nH]c2c1

Name:

4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole

ZINC:

ZINC000000090522

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).