BioLiP

PDB

BioLiP

PDB CCD ID:

EHH

Number of entries in BioLiP:

Chemical formula:

C18 H20 N4

InChI:

InChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3

InChIKey:

LYFZPAXTPPYSEC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cnc(c1c2ccncc2)c3c(C)cc(CN)cc3C
OpenEye OEToolkits 2.0.6	Cc1cc(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN

Name:

[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine

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).