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Ligand

NameCHEMBL61615
Molecular formulaC24H29N3O3
IUPAC name2-methylpropyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
Molecular weight407.514
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.9
SynonymsBDBM50289808
[(S)-2-(1H-Indol-3-yl)-1-phenethylcarbamoyl-ethyl]-carbamic acid isobutyl ester
Inchi KeyHDYAWNAYZSXPPS-QFIPXVFZSA-N
Inchi IDInChI=1S/C24H29N3O3/c1-17(2)16-30-24(29)27-22(14-19-15-26-21-11-7-6-10-20(19)21)23(28)25-13-12-18-8-4-3-5-9-18/h3-11,15,17,22,26H,12-14,16H2,1-2H3,(H,25,28)(H,27,29)/t22-/m0/s1
PubChem CID44301870
ChEMBLCHEMBL61615
IUPHARN/A
BindingDB50289808
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
112451Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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