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Ligand

NameCHEMBL2178577
Molecular formulaC32H44F2N2O5S2
IUPAC nameN-[1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylcyclohexyl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
Molecular weight638.83
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50398336
Inchi KeyAESXAJXKMUNYJP-ZWFIUULVSA-N
Inchi IDInChI=1S/C32H44F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-6,9-10,20-22,24,28,30-31H,4,7-8,11-19H2,1-3H3/t24?,30?,31-/m1/s1
PubChem CID71451877
ChEMBLCHEMBL2178577
IUPHARN/A
BindingDB50398336
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
3824C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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