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Ligand

NameCHEMBL481196
Molecular formulaC21H27F4N3O4S
IUPAC name(1S,4R)-1-[[(3S)-4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-3-(hydroxymethyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular weight493.518
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50412562
Inchi KeyXYUANRDCROYGLA-IAMHBRQHSA-N
Inchi IDInChI=1S/C21H27F4N3O4S/c1-19(2)13-3-4-20(19,17(30)8-13)12-33(31,32)27-5-6-28(15(10-27)11-29)18-16(22)7-14(9-26-18)21(23,24)25/h7,9,13,15,29H,3-6,8,10-12H2,1-2H3/t13-,15+,20-/m1/s1
PubChem CID44570218
ChEMBLCHEMBL481196
IUPHARN/A
BindingDB50412562
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
404178C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
404179C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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