BioLiP

PDB

BioLiP

PDB CCD ID:

Y5M

Number of entries in BioLiP:

Chemical formula:

C17 H18 N4 O2

InChI:

InChI=1S/C17H18N4O2/c1-10-18-13-5-3-4-12(13)17(19-10)21-9-16(22)20-14-8-11(23-2)6-7-15(14)21/h6-8H,3-5,9H2,1-2H3,(H,20,22)

InChIKey:

UEPKZTFWZFQXML-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2
ACDLabs 12.01	Cc1nc4c(c(n1)N3c2ccc(cc2NC(C3)=O)OC)CCC4
CACTVS 3.385	COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4CCCc34

Name:

7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one

ChEMBL:

CHEMBL4855608

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).