BioLiP

PDB

BioLiP

PDB CCD ID:

V3F

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O2

InChI:

InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1

InChIKey:

JNGWGQUYLVSFND-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1(C(=O)NC(=O)N1)c2ccccc2
OpenEye OEToolkits 2.0.7	C[C@@]1(C(=O)NC(=O)N1)c2ccccc2
CACTVS 3.385	C[C]1(NC(=O)NC1=O)c2ccccc2
CACTVS 3.385	C[C@]1(NC(=O)NC1=O)c2ccccc2
ACDLabs 12.01	CC1(NC(=O)NC1=O)c1ccccc1

Name:

(5S)-5-methyl-5-phenylimidazolidine-2,4-dione

ZINC:

ZINC000000119710

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).