BioLiP

PDB

BioLiP

PDB CCD ID:

4GK

Number of entries in BioLiP:

Chemical formula:

C20 H19 N7

InChI:

InChI=1S/C20H19N7/c1-12-11-22-13(2)20-23-17(25-27(12)20)8-9-18-24-19-14-5-4-10-21-15(14)6-7-16(19)26(18)3/h4-7,10-11H,8-9H2,1-3H3

InChIKey:

BHYRFKDBQRBVEU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C
ACDLabs 12.01	Cn3c2ccc1ncccc1c2nc3CCc4nc5n(n4)c(C)cnc5C
CACTVS 3.385	Cn1c(CCc2nn3c(C)cnc(C)c3n2)nc4c1ccc5ncccc45

Name:

2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline

ZINC:

ZINC000141305598

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).