BioLiP

PDB

BioLiP

PDB CCD ID:

XVD

Number of entries in BioLiP:

Chemical formula:

C14 H8 Cl F3 N2 O2

InChI:

InChI=1S/C14H8ClF3N2O2/c15-8-2-1-3-11(22-14(16,17)18)12(8)7-4-5-9-10(6-7)20-13(21)19-9/h1-6H,(H2,19,20,21)

InChIKey:

COBXSLRIXGQVGS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F
CACTVS 3.385	Oc1[nH]c2cc(ccc2n1)c3c(Cl)cccc3OC(F)(F)F
ACDLabs 12.01	n3c2c(cc(c1c(cccc1Cl)OC(F)(F)F)cc2)nc3O

Name:

6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol

ChEMBL:

CHEMBL4214902

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).