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Ligand

NameCHEMBL1834895
Molecular formulaC44H51N3O9
IUPAC nameNone
Molecular weight765.904
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogP3.2
SynonymsBDBM50354998
Inchi KeyAHYZREWYCWOKMD-KAEFNMNLSA-N
Inchi IDInChI=1S/C44H51N3O9/c48-26-7-5-24-17-28-43(50)11-9-41(35-39(43,31(24)33(26)53-35)13-15-45(28)19-22-1-2-22)37-47-30(21-52-37)55-42(38(47)56-41)10-12-44(51)29-18-25-6-8-27(49)34-32(25)40(44,36(42)54-34)14-16-46(29)20-23-3-4-23/h5-8,22-23,28-30,35-38,48-51H,1-4,9-21H2/t28-,29-,30+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1
PubChem CID56679791
ChEMBLCHEMBL1834895
IUPHARN/A
BindingDB50354998
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6004Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
6006Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
6005Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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