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Ligand

NameCHEMBL97859
Molecular formulaC15H21N3O2
IUPAC namebutan-2-yl 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzoate
Molecular weight275.352
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50219156
2-(2-Imidazoline-2-ylmethylamino)benzoic acid sec-butyl ester
Inchi KeyASOZEEQINAQAHV-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H21N3O2/c1-3-11(2)20-15(19)12-6-4-5-7-13(12)18-10-14-16-8-9-17-14/h4-7,11,18H,3,8-10H2,1-2H3,(H,16,17)
PubChem CID44329788
ChEMBLCHEMBL97859
IUPHARN/A
BindingDB50219156
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13392Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
13393Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
13391Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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