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Ligand

NameCHEMBL464083
Molecular formulaC20H27F3N4O3S
IUPAC name(1S,4R)-7,7-dimethyl-1-[[(3S)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
Molecular weight460.516
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM50412559
SCHEMBL14465712
Inchi KeyYPZKUFKIMASZDI-IQUTYRLHSA-N
Inchi IDInChI=1S/C20H27F3N4O3S/c1-13-11-26(6-7-27(13)17-24-9-15(10-25-17)20(21,22)23)31(29,30)12-19-5-4-14(8-16(19)28)18(19,2)3/h9-10,13-14H,4-8,11-12H2,1-3H3/t13-,14+,19+/m0/s1
PubChem CID44570312
ChEMBLCHEMBL464083
IUPHARN/A
BindingDB50412559
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
416402C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
416403C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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