BioLiP

PDB

BioLiP

PDB CCD ID:

A1H5R

Number of entries in BioLiP:

Chemical formula:

C16 H18 N4

InChI:

InChI=1S/C16H18N4/c1-4-12-7-5-6-8-14(12)20(3)16-9-15-13(10-17-16)18-11-19(15)2/h5-11H,4H2,1-3H3

InChIKey:

LTPPDHRPLXVHMT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1ccccc1N(C)c2cc3n(C)cnc3cn2
OpenEye OEToolkits 2.0.7	CCc1ccccc1N(C)c2cc3c(cn2)ncn3C

Name:

~{N}-(2-ethylphenyl)-~{N},1-dimethyl-imidazo[4,5-c]pyridin-6-amine

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).