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Ligand

NameCHEMBL208386
Molecular formulaC28H39N3O3S
IUPAC name2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
Molecular weight497.698
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsSCHEMBL14518529
BDBM50182243
N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(phenylsulfonyl)piperidin-2-yl)acetamide
Inchi KeyCCIFTGGLGDFHPB-JYFHCDHNSA-N
Inchi IDInChI=1S/C28H39N3O3S/c1-28(2,3)29-20-21-15-16-25-22(18-21)10-9-14-26(25)30-27(32)19-23-11-7-8-17-31(23)35(33,34)24-12-5-4-6-13-24/h4-6,12-13,15-16,18,23,26,29H,7-11,14,17,19-20H2,1-3H3,(H,30,32)/t23-,26+/m0/s1
PubChem CID44410143
ChEMBLCHEMBL208386
IUPHARN/A
BindingDB50182243
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
38588B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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