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Ligand

NameCHEMBL2349334
Molecular formulaC16H18N4O2S2
IUPAC name5-benzylsulfanyl-7-[[(2R)-1-hydroxybutan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Molecular weight362.466
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.2
SynonymsBDBM50432447
SCHEMBL841882
Inchi KeyVNUFOKWSYSXHCN-LLVKDONJSA-N
Inchi IDInChI=1S/C16H18N4O2S2/c1-2-11(8-21)17-13-12-14(20-16(22)24-12)19-15(18-13)23-9-10-6-4-3-5-7-10/h3-7,11,21H,2,8-9H2,1H3,(H2,17,18,19,20,22)/t11-/m1/s1
PubChem CID11858153
ChEMBLCHEMBL2349334
IUPHARN/A
BindingDB50432447
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
359803C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
359802CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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