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Ligand

NameCHEMBL2037501
Molecular formulaC29H36N4O4
IUPAC name(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(6-methylpyridin-3-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
Molecular weight504.631
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50384803
Inchi KeyCBNDBZZUQVJBGD-MZNDLHKKSA-N
Inchi IDInChI=1S/C29H36N4O4/c1-4-18(2)25-27(34)31-24(23-15-20-7-5-6-8-21(20)16-23)28(35)33(25)26(22-10-9-19(3)30-17-22)29(36)32-11-13-37-14-12-32/h5-10,17-18,23-26H,4,11-16H2,1-3H3,(H,31,34)/t18-,24+,25+,26+/m0/s1
PubChem CID56950167
ChEMBLCHEMBL2037501
IUPHARN/A
BindingDB50384803
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
38023Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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