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Ligand

NameCHEMBL381366
Molecular formulaC29H38F3N3O3S
IUPAC nameN-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]acetamide
Molecular weight565.696
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50182221
N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
SCHEMBL5396357
Inchi KeyBFWDXOBUPPVYOP-JYFHCDHNSA-N
Inchi IDInChI=1S/C29H38F3N3O3S/c1-28(2,3)33-19-20-13-14-25-21(16-20)8-6-12-26(25)34-27(36)18-23-10-4-5-15-35(23)39(37,38)24-11-7-9-22(17-24)29(30,31)32/h7,9,11,13-14,16-17,23,26,33H,4-6,8,10,12,15,18-19H2,1-3H3,(H,34,36)/t23-,26+/m0/s1
PubChem CID11284458
ChEMBLCHEMBL381366
IUPHARN/A
BindingDB50182221
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22698B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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