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Ligand

NameCHEMBL42117
Molecular formulaC20H30N2O2
IUPAC name1-(4-tert-butylanilino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol
Molecular weight330.472
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50064205
Dicyclopropyl ketone O-[2-hydroxy-3-[(4-tert-butylphenyl)amino]propyl]oxime
Dicyclopropyl-methanone O-[3-(4-tert-butyl-phenylamino)-2-hydroxy-propyl]-oxime
Inchi KeyBZZGFQBQMDECGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H30N2O2/c1-20(2,3)16-8-10-17(11-9-16)21-12-18(23)13-24-22-19(14-4-5-14)15-6-7-15/h8-11,14-15,18,21,23H,4-7,12-13H2,1-3H3
PubChem CID44288749
ChEMBLCHEMBL42117
IUPHARN/A
BindingDB50064205
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36960Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
36959Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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