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Ligand

NameCHEMBL59055
Molecular formulaC26H30N4O3
IUPAC name2-(1H-indol-3-yl)ethyl N-[(2S)-3-(1H-indol-3-yl)-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
Molecular weight446.551
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP4.4
SynonymsBDBM50289850
[(S)-2-(1H-Indol-3-yl)-1-isobutylcarbamoyl-ethyl]-carbamic acid 2-(1H-indol-3-yl)-ethyl ester
Inchi KeyFHDWPVYJLZZWDV-DEOSSOPVSA-N
Inchi IDInChI=1S/C26H30N4O3/c1-17(2)14-29-25(31)24(13-19-16-28-23-10-6-4-8-21(19)23)30-26(32)33-12-11-18-15-27-22-9-5-3-7-20(18)22/h3-10,15-17,24,27-28H,11-14H2,1-2H3,(H,29,31)(H,30,32)/t24-/m0/s1
PubChem CID44301769
ChEMBLCHEMBL59055
IUPHARN/A
BindingDB50289850
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
78321Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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