BioLiP

PDB

BioLiP

PDB CCD ID:

KIN

Number of entries in BioLiP:

Chemical formula:

C19 H14 F3 N3 O2

InChI:

InChI=1S/C19H14F3N3O2/c20-19(21,22)13-2-1-3-15(12-13)25-18(26)24-14-4-6-16(7-5-14)27-17-8-10-23-11-9-17/h1-12H,(H2,24,25,26)

InChIKey:

DDDLGNOZDKDSEG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1
OpenEye OEToolkits 1.5.0	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Oc3ccncc3)C(F)(F)F
ACDLabs 10.04	FC(F)(F)c1cccc(c1)NC(=O)Nc3ccc(Oc2ccncc2)cc3

Name:

1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA

ChEMBL:

CHEMBL1233853

DrugBank:

DB08043

ZINC:

ZINC000034778315

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).