BioLiP

PDB

BioLiP

PDB CCD ID:

WPR

Number of entries in BioLiP:

Chemical formula:

C20 H20 N6

InChI:

InChI=1S/C20H20N6/c1-12-18(13(2)26(25-12)10-14-3-4-14)16-7-15(8-21-9-16)17-5-6-22-20-19(17)23-11-24-20/h5-9,11,14H,3-4,10H2,1-2H3,(H,22,23,24)

InChIKey:

AGXHDPYHRCHDBA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(n(n1)CC2CC2)C)c3cc(cnc3)c4ccnc5c4[nH]cn5
CACTVS 3.385	Cc1nn(CC2CC2)c(C)c1c3cncc(c3)c4ccnc5nc[nH]c45

Name:

7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine

ChEMBL:

CHEMBL5570230

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).