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Ligand

NameCHEMBL381372
Molecular formulaC28H36F3N3O4S
IUPAC nameN-[(1R)-6-[(2-methoxyethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]acetamide
Molecular weight567.668
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50182220
N-((R)-6-((2-methoxyethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
SCHEMBL5391079
Inchi KeyAUQFXZSCVAWPIC-JYFHCDHNSA-N
Inchi IDInChI=1S/C28H36F3N3O4S/c1-38-15-13-32-19-20-11-12-25-21(16-20)6-4-10-26(25)33-27(35)18-23-8-2-3-14-34(23)39(36,37)24-9-5-7-22(17-24)28(29,30)31/h5,7,9,11-12,16-17,23,26,32H,2-4,6,8,10,13-15,18-19H2,1H3,(H,33,35)/t23-,26+/m0/s1
PubChem CID11478613
ChEMBLCHEMBL381372
IUPHARN/A
BindingDB50182220
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
14884B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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