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Ligand

NameUNII-3SH45L9H3Z
Molecular formulaC15H19IN4S
IUPAC name3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate
Molecular weight414.309
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.3
Synonyms3SH45L9H3Z
Tocris-0779
BDBM22913
L000316
{[3-(1H-imidazol-5-yl)propyl]sulfanyl}-N''''-[2-(4-iodophenyl)ethyl]methanimidamide
[ Show all ]
Inchi KeyUBHYDQAARZKHEZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
PubChem CID3035746
ChEMBLCHEMBL498770
IUPHARN/A
BindingDB50170165, 22913
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: 25
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
3325625-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
3325695-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
3325745-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374
5568335-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
3325705-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
5568325-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
332557Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
332561Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
462101Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
332567Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
332556D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
556830D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
556831D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
332573Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
332565Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
332559Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
332558Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
332564Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
332575Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
332563Melatonin receptor type 1BP51050Gallus gallus (Chicken)289

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