BioLiP

PDB

BioLiP

PDB CCD ID:

4X9

Number of entries in BioLiP:

Chemical formula:

C20 H15 Cl F3 N O3

InChI:

InChI=1S/C20H15ClF3NO3/c1-11-17(19(26)18(21)12(2)25-11)13-3-5-14(6-4-13)27-15-7-9-16(10-8-15)28-20(22,23)24/h3-10H,1-2H3,(H,25,26)

InChIKey:

BZRPOJGQEWLGMP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F
CACTVS 3.385	Cc1nc(C)c(c(O)c1Cl)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2
ACDLabs 12.01	Clc1c(O)c(c(nc1C)C)c3ccc(Oc2ccc(OC(F)(F)F)cc2)cc3

Name:

3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol

ChEMBL:

CHEMBL467584

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).