BioLiP

PDB

BioLiP

PDB CCD ID:

546

Number of entries in BioLiP:

Chemical formula:

C18 H17 N5 O

InChI:

InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3

InChIKey:

VAYNYSLGOOSRMO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C
CACTVS 3.370	COc1ccc2nc(C)c3n(c2n1)c(nc3C)c4cnccc4C
ACDLabs 12.01	n2c1c(nc(OC)cc1)n4c(c2C)c(nc4c3c(ccnc3)C)C

Name:

2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine

ChEMBL:

CHEMBL1916091

ZINC:

ZINC000073169602

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).