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Ligand

NameCHEMBL1777880
Molecular formulaC23H34N4O4S
IUPAC name2-(1-methylsulfonyl-3-oxopiperazin-2-yl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
Molecular weight462.609
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.9
SynonymsBDBM50344088
2-(1-(methylsulfonyl)-3-oxopiperazin-2-yl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
Inchi KeyBVXUWROVWQGLOC-VQCQRNETSA-N
Inchi IDInChI=1S/C23H34N4O4S/c1-32(30,31)27-13-10-24-23(29)21(27)15-22(28)25-20-7-5-6-18-14-17(8-9-19(18)20)16-26-11-3-2-4-12-26/h8-9,14,20-21H,2-7,10-13,15-16H2,1H3,(H,24,29)(H,25,28)/t20-,21?/m1/s1
PubChem CID54583583
ChEMBLCHEMBL1777880
IUPHARN/A
BindingDB50344088
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
34186B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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