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Ligand

NameCHEMBL2349309
Molecular formulaC17H22N6OS2
IUPAC name(2R)-2-[[2-amino-5-(pyridin-4-ylmethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
Molecular weight390.524
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM50432424
Inchi KeyCTLHMCWJWNUSJJ-GFCCVEGCSA-N
Inchi IDInChI=1S/C17H22N6OS2/c1-10(2)7-12(8-24)20-14-13-15(21-16(18)26-13)23-17(22-14)25-9-11-3-5-19-6-4-11/h3-6,10,12,24H,7-9H2,1-2H3,(H3,18,20,21,22,23)/t12-/m1/s1
PubChem CID71625502
ChEMBLCHEMBL2349309
IUPHARN/A
BindingDB50432424
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
50219C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
50220CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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