BioLiP

PDB

BioLiP

PDB CCD ID:

NV0

Number of entries in BioLiP:

Chemical formula:

C20 H22 N2 O5

InChI:

InChI=1S/C20H22N2O5/c1-4-10-22-19(26)16-11(2)12(8-9-13(16)21(3)20(22)27)18(25)17-14(23)6-5-7-15(17)24/h8-9,23H,4-7,10H2,1-3H3

InChIKey:

GZGGFOQLRZHBAA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCN1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C(O)CCCC3=O
OpenEye OEToolkits 2.0.7	CCCN1C(=O)c2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCCC3=O)O)C

Name:

1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione

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).