BioLiP

PDB

BioLiP

PDB CCD ID:

F35

Number of entries in BioLiP:

Chemical formula:

C18 H14 N4 O3

InChI:

InChI=1S/C18H14N4O3/c23-15-9-19-18(25)22(15)10-11-5-7-12(8-6-11)16-20-14-4-2-1-3-13(14)17(24)21-16/h1-8H,9-10H2,(H,19,25)(H,20,21,24)

InChIKey:

MSABHXUZVKSEJF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O
CACTVS 3.385	O=C1CNC(=O)N1Cc2ccc(cc2)C3=Nc4ccccc4C(=O)N3
ACDLabs 12.01	O=C1c4ccccc4N=C(N1)c2ccc(cc2)CN3C(=O)CNC3=O

Name:

3-[[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione

ZINC:

ZINC000053846154

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).