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Ligand

NameCHEMBL44134
Molecular formulaC26H38Cl2N4O4S
IUPAC name2-[(2R,5R)-2-(2,4-dichlorophenyl)-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(3,3-dimethylbutyl)acetamide
Molecular weight573.574
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50142387
2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(3,3-dimethyl-butylcarbamoyl)-methyl]-4-oxo-thiazolidin-3-yl}-N-(3-morpholin-4-yl-propyl)-acetamide
Inchi KeyFFQVZCLQZUZIOY-PXDATVDWSA-N
Inchi IDInChI=1S/C26H38Cl2N4O4S/c1-26(2,3)7-9-30-22(33)16-21-24(35)32(25(37-21)19-6-5-18(27)15-20(19)28)17-23(34)29-8-4-10-31-11-13-36-14-12-31/h5-6,15,21,25H,4,7-14,16-17H2,1-3H3,(H,29,34)(H,30,33)/t21-,25-/m1/s1
PubChem CID44289116
ChEMBLCHEMBL44134
IUPHARN/A
BindingDB50142387
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
77328C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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