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Ligand

NameCHEMBL2349333
Molecular formulaC18H21F2N5OS2
IUPAC name(2R)-2-[[2-amino-5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
Molecular weight425.517
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP4.6
SynonymsBDBM50432428
SCHEMBL5433102
Inchi KeyIJPNBRULEFKYSA-LLVKDONJSA-N
Inchi IDInChI=1S/C18H21F2N5OS2/c1-9(2)6-11(7-26)22-15-14-16(23-17(21)28-14)25-18(24-15)27-8-10-4-3-5-12(19)13(10)20/h3-5,9,11,26H,6-8H2,1-2H3,(H3,21,22,23,24,25)/t11-/m1/s1
PubChem CID71625391
ChEMBLCHEMBL2349333
IUPHARN/A
BindingDB50432428
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
134838C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
134839CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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