BioLiP

PDB

BioLiP

PDB CCD ID:

6UK

Number of entries in BioLiP:

Chemical formula:

C20 H17 F3 N4 O

InChI:

InChI=1S/C20H17F3N4O/c1-13-24-12-17(18(26-13)14-7-3-2-4-8-14)27-19(28)25-11-15-9-5-6-10-16(15)20(21,22)23/h2-10,12H,11H2,1H3,(H2,25,27,28)

InChIKey:

WEXHMXAXMQENNT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	Cc1ncc(c(n1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F
CACTVS 3.385	Cc1ncc(NC(=O)NCc2ccccc2C(F)(F)F)c(n1)c3ccccc3

Name:

1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea

ZINC:

ZINC000584905225

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).