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Ligand

NameCHEMBL2349339
Molecular formulaC17H21N5OS2
IUPAC name(2R)-2-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]pentan-1-ol
Molecular weight375.509
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.9
SynonymsLYZBESBXJHUNLT-GFCCVEGCSA-N
(2R)-2-{[2-Amino-5-(benzylthio)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino}pentan-1-ol
SCHEMBL212013
BDBM50432442
Inchi KeyLYZBESBXJHUNLT-GFCCVEGCSA-N
Inchi IDInChI=1S/C17H21N5OS2/c1-2-6-12(9-23)19-14-13-15(20-16(18)25-13)22-17(21-14)24-10-11-7-4-3-5-8-11/h3-5,7-8,12,23H,2,6,9-10H2,1H3,(H3,18,19,20,21,22)/t12-/m1/s1
PubChem CID59799570
ChEMBLCHEMBL2349339
IUPHARN/A
BindingDB50432442
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
199811C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
199812CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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