BioLiP

PDB

BioLiP

PDB CCD ID:

SQ5

Number of entries in BioLiP:

Chemical formula:

C15 H18 F N3 O2

InChI:

InChI=1S/C15H18FN3O2/c16-11-7-12(9-17-8-11)19-14(20)13(18-15(19)21)6-10-4-2-1-3-5-10/h7-10,13H,1-6H2,(H,18,21)/t13-/m0/s1

InChIKey:

MTRGOOHUDUKDJK-ZDUSSCGKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cncc1F)N2C(=O)C(NC2=O)CC3CCCCC3
CACTVS 3.385	Fc1cncc(c1)N2C(=O)N[C@@H](CC3CCCCC3)C2=O
OpenEye OEToolkits 2.0.7	c1c(cncc1F)N2C(=O)[C@@H](NC2=O)CC3CCCCC3
CACTVS 3.385	Fc1cncc(c1)N2C(=O)N[CH](CC3CCCCC3)C2=O

Name:

(5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione;
(5~{S})-5-(cyclohexylmethyl)-3-(5-fluoranylpyridin-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).