BioLiP

PDB

BioLiP

PDB CCD ID:

6ZM

Number of entries in BioLiP:

Chemical formula:

C18 H20 N4 O

InChI:

InChI=1S/C18H20N4O/c1-12(23)22-7-6-17-15(11-22)10-19-18(21-17)20-16-8-13-4-2-3-5-14(13)9-16/h2-5,10,16H,6-9,11H2,1H3,(H,19,20,21)

InChIKey:

YZUQRESBRMOGBQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
OpenEye OEToolkits 2.0.5	CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1
ACDLabs 12.01	C1N(C(=O)C)CCc4c1cnc(NC2Cc3c(C2)cccc3)n4

Name:

1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one

ChEMBL:

CHEMBL4588676

ZINC:

ZINC000584905268

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).