BioLiP

PDB

BioLiP

PDB CCD ID:

RQP

Number of entries in BioLiP:

Chemical formula:

C15 H19 F N2 O4

InChI:

InChI=1S/C15H19FN2O4/c1-22-9-7-18-13(20)15(6-8-19,17-14(18)21)10-11-2-4-12(16)5-3-11/h2-5,19H,6-10H2,1H3,(H,17,21)/t15-/m0/s1

InChIKey:

LEFBUGONDDVZFX-HNNXBMFYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COCCN1C(=O)N[C](CCO)(Cc2ccc(F)cc2)C1=O
OpenEye OEToolkits 2.0.6	COCCN1C(=O)[C@](NC1=O)(CCO)Cc2ccc(cc2)F
CACTVS 3.385	COCCN1C(=O)N[C@@](CCO)(Cc2ccc(F)cc2)C1=O
OpenEye OEToolkits 2.0.6	COCCN1C(=O)C(NC1=O)(CCO)Cc2ccc(cc2)F
ACDLabs 12.01	C(C2(Cc1ccc(cc1)F)C(=O)N(CCOC)C(N2)=O)CO

Name:

(5R)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)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).