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Ligand

NameCID 29982233
Molecular formulaC15H21IN2O3
IUPAC name2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-iodo-3-methoxyphenolate
Molecular weight404.248
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.9
SynonymsN/A
Inchi KeyCANPFCFJURGKAX-JTQLQIEISA-N
Inchi IDInChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
PubChem CID29982233
ChEMBLCHEMBL267723
IUPHARN/A
BindingDB50012961
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 6
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GLASS IDNameUniProtGeneSpeciesLength
37348D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
37349D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
37347D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
37350D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
37351D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
522641D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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