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Ligand

NameCHEMBL32301
Molecular formulaC25H30N4O4
IUPAC nametert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight450.539
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.0
SynonymsBDBM50024320
[(S)-1-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
[1-(1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
Inchi KeyBBVKWFPUAZBKNG-SFTDATJTSA-N
Inchi IDInChI=1S/C25H30N4O4/c1-25(2,3)33-24(32)29-21(14-17-15-27-19-12-8-7-11-18(17)19)23(31)28-20(22(26)30)13-16-9-5-4-6-10-16/h4-12,15,20-21,27H,13-14H2,1-3H3,(H2,26,30)(H,28,31)(H,29,32)/t20-,21-/m0/s1
PubChem CID10072464
ChEMBLCHEMBL32301
IUPHARN/A
BindingDB50024320
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19869Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
19868Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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