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Ligand

NameCHEMBL43757
Molecular formulaC16H21BrN2O2
IUPAC name1-(4-bromoanilino)-3-(dicyclopropylmethylideneamino)oxypropan-2-ol
Molecular weight353.26
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
SynonymsDicyclopropyl ketone O-[2-hydroxy-3-[(4-bromophenyl)amino]propyl]oxime
Dicyclopropyl-methanone O-[3-(4-bromo-phenylamino)-2-hydroxy-propyl]-oxime
BDBM50064216
Inchi KeyAJFXKFBDRMAYOU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H21BrN2O2/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 CID10672010
ChEMBLCHEMBL43757
IUPHARN/A
BindingDB50064216
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6878Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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