BioLiP

PDB

BioLiP

PDB CCD ID:

I9O

Number of entries in BioLiP:

Chemical formula:

C14 H14 F3 N3

InChI:

InChI=1S/C14H14F3N3/c15-14(16,17)11-3-1-2-10(6-11)7-20-5-4-12-13(8-20)19-9-18-12/h1-3,6,9H,4-5,7-8H2,(H,18,19)

InChIKey:

FOPKRYDZNCKFAQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)C(F)(F)F)CN2CCc3c(nc[nH]3)C2
CACTVS 3.385	FC(F)(F)c1cccc(CN2CCc3[nH]cnc3C2)c1

Name:

5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

ZINC:

ZINC000097301342

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).