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Ligand

NameCHEMBL2037497
Molecular formulaC30H38N4O4
IUPAC name(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2,2-dimethylpropyl)-1-[(1R)-1-(6-methylpyridin-3-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
Molecular weight518.658
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50384834
Inchi KeyBLQNXCRIQMYHRI-TWJOJJKGSA-N
Inchi IDInChI=1S/C30H38N4O4/c1-19-9-10-22(18-31-19)26(29(37)33-11-13-38-14-12-33)34-24(17-30(2,3)4)27(35)32-25(28(34)36)23-15-20-7-5-6-8-21(20)16-23/h5-10,18,23-26H,11-17H2,1-4H3,(H,32,35)/t24-,25-,26-/m1/s1
PubChem CID56950041
ChEMBLCHEMBL2037497
IUPHARN/A
BindingDB50384834
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
26885Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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