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Ligand

NameCHEMBL206246
Molecular formulaC26H39N5O3S
IUPAC nameN-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]acetamide
Molecular weight501.69
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.3
SynonymsN-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(1-methyl-1H-imidazol-4-ylsulfonyl)piperidin-2-yl)acetamide
BDBM50182244
Inchi KeyASMAGMCDASTQOH-JTHBVZDNSA-N
Inchi IDInChI=1S/C26H39N5O3S/c1-26(2,3)28-16-19-11-12-22-20(14-19)8-7-10-23(22)29-24(32)15-21-9-5-6-13-31(21)35(33,34)25-17-30(4)18-27-25/h11-12,14,17-18,21,23,28H,5-10,13,15-16H2,1-4H3,(H,29,32)/t21-,23+/m0/s1
PubChem CID44410059
ChEMBLCHEMBL206246
IUPHARN/A
BindingDB50182244
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
13275B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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