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Ligand

NameCHEMBL442926
Molecular formulaC36H36N2O6
IUPAC name(6aR)-2-[2-[[(6aR)-10,11-dihydroxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-yl]oxy]ethoxy]-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Molecular weight592.692
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.8
SynonymsD0V3DO
BDBM50251330
1,2-Bis-[R-(-)-apomorphine-2'-oxy]ethane
1,2-Bis-[R-(-)-apomorphine-2''-oxy]ethane
Inchi KeyKWKONXOZQQYOJW-VSGBNLITSA-N
Inchi IDInChI=1S/C36H36N2O6/c1-37-9-7-21-13-23(17-25-31(21)27(37)15-19-3-5-29(39)35(41)33(19)25)43-11-12-44-24-14-22-8-10-38(2)28-16-20-4-6-30(40)36(42)34(20)26(18-24)32(22)28/h3-6,13-14,17-18,27-28,39-42H,7-12,15-16H2,1-2H3/t27-,28-/m1/s1
PubChem CID44567597
ChEMBLCHEMBL442926
IUPHARN/A
BindingDB50251330
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
179916D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
179915D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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