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Ligand

NameHimbacine
Molecular formulaC22H35NO2
IUPAC name(3R,4R,4aS,8aR)-4-[(E)-2-[(2S,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight345.527
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50071173
(3R,4R,4aS,8aR)-4-[(E)-2-((2S,6S)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
CHEMBL59421
Inchi KeyFMPNFDSPHNUFOS-FIUWNGRQSA-N
Inchi IDInChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16+,17-,18-,19+,20?,21?/m0/s1
PubChem CID44302812
ChEMBLN/A
IUPHARN/A
BindingDB50071173
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: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
82126Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
82131Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
82128Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
82134Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
82130Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
82133Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
82127Muscarinic acetylcholine receptor M4P32211Chrm4Mus musculus (Mouse)479
82129Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
82132Muscarinic acetylcholine receptor M4P17200CHRM4Gallus gallus (Chicken)490
459962Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478
459961Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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