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Ligand

NameMLS000526436
Molecular formulaC18H31N3S
IUPAC name[(E)-1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea
Molecular weight321.527
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.7
SynonymsSMR000116910
CHEMBL3189272
BDBM79972
C18H31N3S
cid_2854355
[ Show all ]
Inchi KeyAAODAXBGVQWVMB-UDWIEESQSA-N
Inchi IDInChI=1S/C18H31N3S/c1-12(20-21-16(19)22)9-14-10-13-7-6-8-17(2,3)15(13)11-18(14,4)5/h14H,6-11H2,1-5H3,(H3,19,21,22)/b20-12+
PubChem CID9554433
ChEMBLCHEMBL3189272
IUPHARN/A
BindingDBN/A
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
383Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
382C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
381Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
380Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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