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Ligand

NameCHEMBL59060
Molecular formulaC26H30N4O3
IUPAC name2-methylpropyl N-[(2S)-3-(1H-indol-3-yl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
Molecular weight446.551
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP4.4
SynonymsBDBM50289825
{(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indol-3-yl)-ethylcarbamoyl]-ethyl}-carbamic acid isobutyl ester
Inchi KeyBZDXMLXOSGUXDE-DEOSSOPVSA-N
Inchi IDInChI=1S/C26H30N4O3/c1-17(2)16-33-26(32)30-24(13-19-15-29-23-10-6-4-8-21(19)23)25(31)27-12-11-18-14-28-22-9-5-3-7-20(18)22/h3-10,14-15,17,24,28-29H,11-13,16H2,1-2H3,(H,27,31)(H,30,32)/t24-/m0/s1
PubChem CID44302017
ChEMBLCHEMBL59060
IUPHARN/A
BindingDB50289825
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
36352Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390
36351Substance-P receptorP25103TACR1Homo sapiens (Human)407

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