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Ligand

NameCHEMBL2349305
Molecular formulaC18H21N5O2S2
IUPAC name(2R)-2-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-4-methylpentanoic acid
Molecular weight403.519
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP4.6
SynonymsBDBM50432453
Inchi KeyJGZWLGNFSYAFSU-GFCCVEGCSA-N
Inchi IDInChI=1S/C18H21N5O2S2/c1-10(2)8-12(16(24)25)20-14-13-15(21-17(19)27-13)23-18(22-14)26-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,24,25)(H3,19,20,21,22,23)/t12-/m1/s1
PubChem CID71625022
ChEMBLCHEMBL2349305
IUPHARN/A
BindingDB50432453
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
150777C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
150778CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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