BioLiP

PDB

BioLiP

PDB CCD ID:

W3Y

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl N2 O2

InChI:

InChI=1S/C10H9ClN2O2/c1-6-9(14)12-10(15)13(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,14,15)/t6-/m0/s1

InChIKey:

YRTFBBSKIRZNAW-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H]1C(=O)NC(=O)N1c2ccc(cc2)Cl
ACDLabs 12.01	N2C(N(c1ccc(cc1)Cl)C(C2=O)C)=O
OpenEye OEToolkits 2.0.7	CC1C(=O)NC(=O)N1c2ccc(cc2)Cl
CACTVS 3.385	C[CH]1N(C(=O)NC1=O)c2ccc(Cl)cc2
CACTVS 3.385	C[C@@H]1N(C(=O)NC1=O)c2ccc(Cl)cc2

Name:

(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

ZINC:

ZINC000004219004

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).