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Ligand

NameCHEMBL2349185
Molecular formulaC18H22N4O3S2
IUPAC name5-benzylsulfinyl-7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Molecular weight406.519
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM50432461
SCHEMBL5440057
Inchi KeyQORPNJQYKGLIAV-YAIASZBKSA-N
Inchi IDInChI=1S/C18H22N4O3S2/c1-11(2)8-13(9-23)19-15-14-16(22-18(24)26-14)21-17(20-15)27(25)10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H2,19,20,21,22,24)/t13-,27?/m1/s1
PubChem CID69442228
ChEMBLCHEMBL2349185
IUPHARN/A
BindingDB50432461
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
283273C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
283274CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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