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Ligand

NameMEN-10414
Molecular formulaC40H46N8O8
IUPAC name(3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight766.856
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP-0.4
SynonymsCHEMBL332311
Inchi KeyNAROQMGJBTWUPR-AZEIZMHQSA-N
Inchi IDInChI=1S/C40H46N8O8/c1-21(2)35(40(56)45-31(36(42)52)16-23-19-43-29-9-5-3-7-26(23)29)48-39(55)33(17-24-20-44-30-10-6-4-8-27(24)30)47-38(54)32(15-22-11-13-25(49)14-12-22)46-37(53)28(41)18-34(50)51/h3-14,19-21,28,31-33,35,43-44,49H,15-18,41H2,1-2H3,(H2,42,52)(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H,50,51)/t28-,31+,32-,33+,35-/m0/s1
PubChem CID10010374
ChEMBLCHEMBL332311
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
218708Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
218709Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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