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Ligand

NameCHEMBL274737
Molecular formulaC16H19N5OS2
IUPAC name(2R)-2-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]butan-1-ol
Molecular weight361.482
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.6
SynonymsSCHEMBL842570
(R)-2-(2-amino-5-(benzylthio)thiazolo[4,5-d]pyrimidin-7-ylamino)butan-1-ol
BDBM50177607
NPKHWEBWIFDKHH-LLVKDONJSA-N
(R)-2-[[2-Amino-5-[(phenylmethyl)thio]thiazolo[4,5-d]pyrimidin-7-yl]amino]-1-butanol
Inchi KeyNPKHWEBWIFDKHH-LLVKDONJSA-N
Inchi IDInChI=1S/C16H19N5OS2/c1-2-11(8-22)18-13-12-14(19-15(17)24-12)21-16(20-13)23-9-10-6-4-3-5-7-10/h3-7,11,22H,2,8-9H2,1H3,(H3,17,18,19,20,21)/t11-/m1/s1
PubChem CID9885291
ChEMBLCHEMBL274737
IUPHARN/A
BindingDB50177607
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
229035C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
229036CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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