BioLiP

PDB

BioLiP

PDB CCD ID:

Z5X

Number of entries in BioLiP:

Chemical formula:

C20 H16 F7 N3 O3

InChI:

InChI=1S/C20H16F7N3O3/c1-28-7-8-30(17(28)31)15-10-11(19(22,23)24)9-14(20(25,26)27)16(15)33-18(32)29(2)13-5-3-12(21)4-6-13/h3-6,9-10H,7-8H2,1-2H3

InChIKey:

OMLNQKKHSWHSNR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1CCN(C1=O)c2cc(cc(c2OC(=O)N(C)c3ccc(cc3)F)C(F)(F)F)C(F)(F)F
CACTVS 3.385	CN1CCN(C1=O)c2cc(cc(c2OC(=O)N(C)c3ccc(F)cc3)C(F)(F)F)C(F)(F)F
ACDLabs 12.01	CN1CCN(c2cc(cc(c2OC(=O)N(C)c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)C1=O

Name:

2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate

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).