BioLiP

PDB

BioLiP

PDB CCD ID:

A1D86

Number of entries in BioLiP:

Chemical formula:

C27 H25 F3 N2 O4

InChI:

InChI=1S/C27H25F3N2O4/c28-27(29,30)36-21-15-13-19(14-16-21)26-31-22-9-4-5-10-23(22)32(26)18-20-8-3-6-11-24(20)35-17-7-1-2-12-25(33)34/h3-6,8-11,13-16H,1-2,7,12,17-18H2,(H,33,34)

InChIKey:

CIJJQZAOSIHXTJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCCCCOc1ccccc1Cn2c3ccccc3nc2c4ccc(OC(F)(F)F)cc4
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)Cn2c3ccccc3nc2c4ccc(cc4)OC(F)(F)F)OCCCCCC(=O)O

Name:

6-[2-[[2-[4-(trifluoromethyloxy)phenyl]benzimidazol-1-yl]methyl]phenoxy]hexanoic acid

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).