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Ligand

NameCHEMBL2349324
Molecular formulaC18H22FN5OS2
IUPAC name(2R)-2-[[2-amino-5-[(2-fluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
Molecular weight407.526
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP4.5
Synonyms(R)-2-[2-Amino-5-(2-fluorophenylmethylthio)-thiazolo[4,5-d]pyrimidin-7-ylamino]-4-methyl-pentan-1-ol
SCHEMBL5235414
BDBM50432437
HVAOCXFQAGCNQP-GFCCVEGCSA-N
Inchi KeyHVAOCXFQAGCNQP-GFCCVEGCSA-N
Inchi IDInChI=1S/C18H22FN5OS2/c1-10(2)7-12(8-25)21-15-14-16(22-17(20)27-14)24-18(23-15)26-9-11-5-3-4-6-13(11)19/h3-6,10,12,25H,7-9H2,1-2H3,(H3,20,21,22,23,24)/t12-/m1/s1
PubChem CID71625272
ChEMBLCHEMBL2349324
IUPHARN/A
BindingDB50432437
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
124789C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
124790CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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