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Ligand

NameCHEMBL2349332
Molecular formulaC18H21BrFN5OS2
IUPAC name(2R)-2-[[2-amino-5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
Molecular weight486.422
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP5.2
SynonymsBDBM50432429
SCHEMBL5232446
Inchi KeyBAWCTQVXGNPSAG-GFCCVEGCSA-N
Inchi IDInChI=1S/C18H21BrFN5OS2/c1-9(2)5-12(7-26)22-15-14-16(23-17(21)28-14)25-18(24-15)27-8-10-3-4-11(19)6-13(10)20/h3-4,6,9,12,26H,5,7-8H2,1-2H3,(H3,21,22,23,24,25)/t12-/m1/s1
PubChem CID21035680
ChEMBLCHEMBL2349332
IUPHARN/A
BindingDB50432429
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19238C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
19237CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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