BioLiP

PDB

BioLiP

PDB CCD ID:

YJ7

Number of entries in BioLiP:

Chemical formula:

C16 H15 N5 O3

InChI:

InChI=1S/C16H15N5O3/c1-8-14-15(17-9(2)18-16(14)24-20-8)21-7-13(22)19-11-6-10(23-3)4-5-12(11)21/h4-6H,7H2,1-3H3,(H,19,22)

InChIKey:

ANFWBEUANIPNGV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	COc1cc2NC(=O)CN(c3nc(C)nc4onc(C)c34)c2cc1
OpenEye OEToolkits 2.0.7	Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC
CACTVS 3.385	COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4onc(C)c34

Name:

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

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).