BioLiP

PDB

BioLiP

PDB CCD ID:

7EH

Number of entries in BioLiP:

Chemical formula:

C13 H12 N4

InChI:

InChI=1S/C13H12N4/c1-17-12-11(16-13(17)14)7-10(8-15-12)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16)

InChIKey:

UZJBSXZLYIGJOT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1c(N)nc2cc(cnc12)c3ccccc3
OpenEye OEToolkits 2.0.6	Cn1c2c(cc(cn2)c3ccccc3)nc1N
ACDLabs 12.01	Nc1nc2c(n1C)ncc(c2)c3ccccc3

Name:

3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-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).