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Ligand

NameCHEMBL2349180
Molecular formulaC18H22ClN5O2S2
IUPAC name5-[(1S)-1-(4-chloropyridin-2-yl)ethyl]sulfanyl-7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Molecular weight439.977
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.0
SynonymsBDBM50432466
Inchi KeyUDGYWARCEKJDIJ-CMPLNLGQSA-N
Inchi IDInChI=1S/C18H22ClN5O2S2/c1-9(2)6-12(8-25)21-15-14-16(24-18(26)28-14)23-17(22-15)27-10(3)13-7-11(19)4-5-20-13/h4-5,7,9-10,12,25H,6,8H2,1-3H3,(H2,21,22,23,24,26)/t10-,12+/m0/s1
PubChem CID71718998
ChEMBLCHEMBL2349180
IUPHARN/A
BindingDB50432466
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
334067C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
334066CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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