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Ligand

NameCHEMBL44261
Molecular formulaC16H21IN2O2
IUPAC name1-(dicyclopropylmethylideneamino)oxy-3-(4-iodoanilino)propan-2-ol
Molecular weight400.26
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50064212
Dicyclopropyl ketone O-[2-hydroxy-3-[(4-iodophenyl)amino]propyl]oxime
Dicyclopropyl-methanone O-[2-hydroxy-3-(4-iodo-phenylamino)-propyl]-oxime
Inchi KeyHYMRIWGOEMUUFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H21IN2O2/c17-13-5-7-14(8-6-13)18-9-15(20)10-21-19-16(11-1-2-11)12-3-4-12/h5-8,11-12,15,18,20H,1-4,9-10H2
PubChem CID10553898
ChEMBLCHEMBL44261
IUPHARN/A
BindingDB50064212
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
127180Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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