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Ligand

NameVERAPAMIL
Molecular formulaC27H38N2O4
IUPAC name2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Molecular weight454.611
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsGTPL2406
Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino) propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-
NCGC00024710-08
Iproveratril
Bio2_000713
[ Show all ]
Inchi KeySGTNSNPWRIOYBX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
PubChem CID2520
ChEMBLCHEMBL6966
IUPHARN/A
BindingDB81939
DrugBankDB00661

Structure

SDF download

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

Known GPCRs

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Total entries: 17
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3139455-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
3139435-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3139505-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3139445-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
454158Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
551805Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
313941Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
551804Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
551806Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
313946Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
313949Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
313954Beta-1 adrenergic receptorQ28998ADRB1Sus scrofa (Pig)468
313953Beta-2 adrenergic receptorQ28997ADRB2Sus scrofa (Pig)418
313951D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
313942Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
313952Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
313948Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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