BioLiP

PDB

BioLiP

PDB CCD ID:

RKQ

Number of entries in BioLiP:

Chemical formula:

C20 H20 N6 O

InChI:

InChI=1S/C20H20N6O/c1-13-23-17-8-7-16(14-11-18(21)25-19(22)12-14)24-20(17)26(13)9-10-27-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H4,21,22,25)

InChIKey:

XQMMPFLQOCIGRW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N
CACTVS 3.385	Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(N)nc(N)c4

Name:

4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

ChEMBL:

CHEMBL5088511

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).