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Ligand

NameCHEMBL1777968
Molecular formulaC28H36N4O5S
IUPAC name2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
Molecular weight540.679
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50344110
SCHEMBL5012334
2-((R)-3-oxo-1-tosylpiperazin-2-yl)-N-((R)-7-(piperidin-1-ylmethyl)chroman-4-yl)acetamide
Inchi KeyAYOLCKHKBYKEFR-JWQCQUIFSA-N
Inchi IDInChI=1S/C28H36N4O5S/c1-20-5-8-22(9-6-20)38(35,36)32-15-12-29-28(34)25(32)18-27(33)30-24-11-16-37-26-17-21(7-10-23(24)26)19-31-13-3-2-4-14-31/h5-10,17,24-25H,2-4,11-16,18-19H2,1H3,(H,29,34)(H,30,33)/t24-,25-/m1/s1
PubChem CID54583617
ChEMBLCHEMBL1777968
IUPHARN/A
BindingDB50344110
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
17629B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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