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Ligand

NameCHEMBL59187
Molecular formulaC30H30N4O3
IUPAC name2-(1H-indol-3-yl)ethyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
Molecular weight494.595
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP5.0
SynonymsBDBM50289798
[(S)-2-(1H-Indol-3-yl)-1-phenethylcarbamoyl-ethyl]-carbamic acid 2-(1H-indol-3-yl)-ethyl ester
Inchi KeyCIYKHIHQWBCGKL-NDEPHWFRSA-N
Inchi IDInChI=1S/C30H30N4O3/c35-29(31-16-14-21-8-2-1-3-9-21)28(18-23-20-33-27-13-7-5-11-25(23)27)34-30(36)37-17-15-22-19-32-26-12-6-4-10-24(22)26/h1-13,19-20,28,32-33H,14-18H2,(H,31,35)(H,34,36)/t28-/m0/s1
PubChem CID44301562
ChEMBLCHEMBL59187
IUPHARN/A
BindingDB50289798
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
43076Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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