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Ligand

NameCHEMBL3315223
Molecular formulaC25H25N3O3
IUPAC name(2S)-2-[[2-(6-isoquinolin-4-ylindol-1-yl)acetyl]amino]-4-methylpentanoic acid
Molecular weight415.493
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50049056
Inchi KeyDSGAQGFOWYUCLM-QFIPXVFZSA-N
Inchi IDInChI=1S/C25H25N3O3/c1-16(2)11-22(25(30)31)27-24(29)15-28-10-9-17-7-8-18(12-23(17)28)21-14-26-13-19-5-3-4-6-20(19)21/h3-10,12-14,16,22H,11,15H2,1-2H3,(H,27,29)(H,30,31)/t22-/m0/s1
PubChem CID118708058
ChEMBLCHEMBL3315223
IUPHARN/A
BindingDB50049056
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
444354Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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