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Ligand

NameAC1NKXXY
Molecular formulaC17H19N3O
IUPAC name3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate
Molecular weight281.359
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.3
SynonymsMolPort-000-771-097
STL054299
AKOS005707227
MCULE-3004652227
3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate
[ Show all ]
Inchi KeyMRBDMNSDAVCSSF-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
PubChem CID4920903
ChEMBLCHEMBL597
IUPHAR502
BindingDB31046
DrugBankDB00692

Structure

SDF download

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

Known GPCRs

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Total entries: 41
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
2121895-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2122025-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2122155-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
2122095-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
2122005-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5563185-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2122045-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2121925-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
2122185-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
5563175-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
212186Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
212194Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
212207Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
212212Alpha-1A adrenergic receptorO02824ADRA1AOryctolagus cuniculus (Rabbit)466
212191Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
212193Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
212206Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
212203Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
212208Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
212188Alpha-2A adrenergic receptorP18871ADRA2ASus scrofa (Pig)450

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