BioLiP

PDB

BioLiP

PDB CCD ID:

L9F

Number of entries in BioLiP:

Chemical formula:

C14 H10 Cl N3 O2

InChI:

InChI=1S/C14H10ClN3O2/c15-10-4-1-5-11(7-10)18-13(19)12(17-14(18)20)9-3-2-6-16-8-9/h1-8,12H,(H,17,20)/t12-/m1/s1

InChIKey:

GSEMEGPVJJVGNC-GFCCVEGCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cccc(c1)N2C(=O)N[CH](c3cccnc3)C2=O
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)Cl)N2C(=O)[C@H](NC2=O)c3cccnc3
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)Cl)N2C(=O)C(NC2=O)c3cccnc3
CACTVS 3.385	Clc1cccc(c1)N2C(=O)N[C@H](c3cccnc3)C2=O
ACDLabs 12.01	Clc1cccc(c1)N1C(=O)C(NC1=O)c1cccnc1

Name:

(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-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).