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Ligand

NameCHEMBL1952100
Molecular formulaC31H43Cl2N3O5S2
IUPAC nameN-[1-[(3R)-3-(3,5-dichlorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
Molecular weight672.721
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50364748
Inchi KeyAPTNUAHTAUPJSF-SSEXGKCCSA-N
Inchi IDInChI=1S/C31H43Cl2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1
PubChem CID57395184
ChEMBLCHEMBL1952100
IUPHARN/A
BindingDB50364748
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
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GLASS IDNameUniProtGeneSpeciesLength
11360C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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