BioLiP

PDB

BioLiP

PDB CCD ID:

6UH

Number of entries in BioLiP:

Chemical formula:

C19 H16 F3 N3 O2

InChI:

InChI=1S/C19H16F3N3O2/c1-12-16(17(25-27-12)13-7-3-2-4-8-13)24-18(26)23-11-14-9-5-6-10-15(14)19(20,21)22/h2-10H,11H2,1H3,(H2,23,24,26)

InChIKey:

JOPADRLBMVFGBD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	Cc1c(c(no1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F
CACTVS 3.385	Cc1onc(c1NC(=O)NCc2ccccc2C(F)(F)F)c3ccccc3

Name:

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

ZINC:

ZINC000584905072

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).