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Ligand

NameCHEMBL481198
Molecular formulaC21H30F3N3O3S
IUPAC name(1S,2S,4R)-7,7-dimethyl-1-[[(3S)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-ol
Molecular weight461.544
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50412556
SCHEMBL14466699
Inchi KeyZNGVTBVYSZJBBY-NVALYEJGSA-N
Inchi IDInChI=1S/C21H30F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15,17,28H,6-10,12-13H2,1-3H3/t14-,15+,17-,20+/m0/s1
PubChem CID44570220
ChEMBLCHEMBL481198
IUPHARN/A
BindingDB50412556
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
432787C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
432788C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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