BioLiP

PDB

BioLiP

PDB CCD ID:

OAY

Number of entries in BioLiP:

Chemical formula:

C22 H24 N4 O4

InChI:

InChI=1S/C22H24N4O4/c1-11-14(19(27)17-18(13-6-7-13)23-25(3)20(17)28)8-9-15-16(11)21(29)26(10-12-4-5-12)22(30)24(15)2/h8-9,12-13,23H,4-7,10H2,1-3H3

InChIKey:

WZQUIHCGANDDPY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(CC4CC4)C(=O)c3c2C)C5CC5
OpenEye OEToolkits 2.0.7	Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC3CC3)C(=O)C4=C(NN(C4=O)C)C5CC5

Name:

3-(cyclopropylmethyl)-6-[(5-cyclopropyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,5-dimethyl-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).