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Ligand

NameCHEMBL199548
Molecular formulaC28H33N3O
IUPAC name4-[[(2R)-2-[(1R)-1-hydroxy-2-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]ethyl]pyrrolidin-1-yl]methyl]benzonitrile
Molecular weight427.592
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50175362
4-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)ethyl)pyrrolidin-1-yl)methyl)benzonitrile
Inchi KeyAQUDJFYMRIDORP-KAYWLYCHSA-N
Inchi IDInChI=1S/C28H33N3O/c1-28(2,17-23-13-14-24-6-3-4-7-25(24)16-23)30-19-27(32)26-8-5-15-31(26)20-22-11-9-21(18-29)10-12-22/h3-4,6-7,9-14,16,26-27,30,32H,5,8,15,17,19-20H2,1-2H3/t26-,27-/m1/s1
PubChem CID44405873
ChEMBLCHEMBL199548
IUPHARN/A
BindingDB50175362
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
12107Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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