BioLiP

PDB

BioLiP

PDB CCD ID:

KSL

Number of entries in BioLiP:

Chemical formula:

C20 H18 N4

InChI:

InChI=1S/C20H18N4/c1-14-7-6-8-15(2)19(14)23-20-18-11-21-13-24(18)17(12-22-20)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,22,23)

InChIKey:

KKYYLKPGILUPOA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	n2cc(n1c(cnc1)c2Nc3c(cccc3C)C)c4ccccc4
OpenEye OEToolkits 1.5.0	Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C
CACTVS 3.341	Cc1cccc(C)c1Nc2ncc(n3cncc23)c4ccccc4

Name:

N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine

ChEMBL:

CHEMBL223873

DrugBank:

DB08056

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).