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BioLiP

PDB CCD ID: 4X9
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F
CACTVS 3.385Cc1nc(C)c(c(O)c1Cl)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2
ACDLabs 12.01Clc1c(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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