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Ligand

NameCHEMBL2037510
Molecular formulaC28H36N4O3
IUPAC name(2R)-2-[(2R,5R)-2-[(2S)-butan-2-yl]-5-(2,3-dihydro-1H-inden-2-yl)-3,6-dioxopiperazin-1-yl]-2-(2,6-dimethylpyridin-3-yl)-N,N-dimethylacetamide
Molecular weight476.621
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50384838
SCHEMBL1597454
Inchi KeyCEGJBJAALZUUPN-QKEQKLBSSA-N
Inchi IDInChI=1S/C28H36N4O3/c1-7-16(2)24-26(33)30-23(21-14-19-10-8-9-11-20(19)15-21)27(34)32(24)25(28(35)31(5)6)22-13-12-17(3)29-18(22)4/h8-13,16,21,23-25H,7,14-15H2,1-6H3,(H,30,33)/t16-,23+,24+,25+/m0/s1
PubChem CID11719871
ChEMBLCHEMBL2037510
IUPHARN/A
BindingDB50384838
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
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GLASS IDNameUniProtGeneSpeciesLength
39865Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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