BioLiP

PDB

BioLiP

PDB CCD ID:

GD5

Number of entries in BioLiP:

Chemical formula:

C20 H21 Cl N8

InChI:

InChI=1S/C20H21ClN8/c1-13-16(11-25-29(13)14-5-7-22-8-6-14)26-20-24-10-15(21)19(27-20)17-12-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,26,27)

InChIKey:

UMHKPLNSKRNIJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1n(ncc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)C5CCNCC5
OpenEye OEToolkits 1.7.6	Cc1c(cnn1C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl

Name:

5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-N-(5-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine

ChEMBL:

CHEMBL3822543

ZINC:

ZINC000584905562

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).