BioLiP

PDB

BioLiP

PDB CCD ID:

6DH

Number of entries in BioLiP:

Chemical formula:

C11 H11 F3 N2 O

InChI:

InChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-8-9(6-7)16-10(15-8)2-1-5-17/h3-4,6,17H,1-2,5H2,(H,15,16)

InChIKey:

FDRMNTVCDKSRNL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCCc1[nH]c2cc(ccc2n1)C(F)(F)F
OpenEye OEToolkits 1.7.6	c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO
ACDLabs 12.01	FC(F)(F)c1ccc2nc(nc2c1)CCCO

Name:

3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol

ZINC:

ZINC000004243182

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).