BioLiP

PDB

BioLiP

PDB CCD ID:

TJD

Number of entries in BioLiP:

Chemical formula:

C10 H8 N2 O3

InChI:

InChI=1S/C10H8N2O3/c1-15-9(13)8-6-4-2-3-5-7(6)11-10(14)12-8/h2-5H,1H3,(H,11,12,14)

InChIKey:

LUWXFZYTFMIZSY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)C1=NC(=O)Nc2ccccc12
ACDLabs 12.01	N2=C(C(=O)OC)c1c(cccc1)NC2=O
OpenEye OEToolkits 2.0.7	COC(=O)C1=NC(=O)Nc2c1cccc2

Name:

methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate

ZINC:

ZINC000238342306

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).