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Ligand

NameCHEMBL372619
Molecular formulaC30H38N4O4
IUPAC name(2S)-2-(4-acetamidophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
Molecular weight518.658
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.9
SynonymsBDBM50002405
Inchi KeyATGORNGJKHFGTD-PFBJBMPXSA-N
Inchi IDInChI=1S/C30H38N4O4/c1-17(2)14-25-28(36)33-26(23-15-21-8-6-7-9-22(21)16-23)30(38)34(25)27(29(37)31-18(3)4)20-10-12-24(13-11-20)32-19(5)35/h6-13,17-18,23,25-27H,14-16H2,1-5H3,(H,31,37)(H,32,35)(H,33,36)/t25-,26-,27+/m1/s1
PubChem CID11577215
ChEMBLCHEMBL372619
IUPHARN/A
BindingDB50002405
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
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GLASS IDNameUniProtGeneSpeciesLength
13940Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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