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Ligand

NameCHEMBL156186
Molecular formulaC36H41N5O6
IUPAC name2-acetamido-N-[(2R)-3-(1-acetylindol-2-yl)-1-[[1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxybutanamide
Molecular weight639.753
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.0
SynonymsBDBM50408385
Inchi KeyPOEPROHXWZELFO-XNWJXSQGSA-N
Inchi IDInChI=1S/C36H41N5O6/c1-23(42)33(37-24(2)43)35(46)38-30(21-29-20-28-17-11-12-18-32(28)41(29)25(3)44)34(45)39-31(19-26-13-7-5-8-14-26)36(47)40(4)22-27-15-9-6-10-16-27/h5-18,20,23,30-31,33,42H,19,21-22H2,1-4H3,(H,37,43)(H,38,46)(H,39,45)/t23?,30-,31?,33?/m1/s1
PubChem CID44370530
ChEMBLCHEMBL156186
IUPHARN/A
BindingDB50408385
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
264672Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
264671Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
264670Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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