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Ligand

NameCHEMBL3361402
Molecular formulaC32H45N5O6S
IUPAC name(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular weight627.801
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP0.9
SynonymsBDBM50028019
Inchi KeyBOIXLFMIFWLQEH-FWEHEUNISA-N
Inchi IDInChI=1S/C32H45N5O6S/c1-21(2)17-26(29(39)36-25(32(42)43)15-16-44-4)35-28(38)20-34-30(40)27(19-23-13-9-6-10-14-23)37(3)31(41)24(33)18-22-11-7-5-8-12-22/h5-14,21,24-27H,15-20,33H2,1-4H3,(H,34,40)(H,35,38)(H,36,39)(H,42,43)/t24-,25-,26-,27-/m0/s1
PubChem CID118724962
ChEMBLCHEMBL3361402
IUPHARN/A
BindingDB50028019
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442796Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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