BDBM50251742 (3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yl hydrogen (S)-1-((S)-1-(1H-indol-3-yl)-3-oxobutan-2-ylamino)-4-methyl-1-oxopentan-2-ylphosphoramidate::(S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::(S)-2-{(S)-2-[Hydroxy-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::(S)-2-{(S)-2-[Hydroxy-((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::(S)-2-{(S)-2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-1-oxo-pentylamino}-3-(1H-indol-3-yl)-propionic acid::(S)-2-{(S)-2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::(S)-3-(1-Hydroxy-1H-indol-3-yl)-2-{(S)-2-[hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-propionic acid::(phosphoramidon) 2-{2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::2-{2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::2-{2-[Hydroxy-(3,4,6-trihydroxy-5-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid( Phosphoramidon)::CHEMBL479579::N-alpha-L-rhamnopyranosyloxy(hydroxyphosphinyl)-L-Leucyl-L-Tryptophan::Phosphoramidon::Phosporamidon::phosphramidon

SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key InChIKey=ZPHBZEQOLSRPAK-XLCYBJAPSA-N

Data  4 KI  31 IC50  1 Kd

PDB links: 9 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50251742   

TargetEEF1AKMT4-ECE2 readthrough transcript protein(Homo sapiens (Human))
Pharmaleads

LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataKi:  1.20nM IC50:  2.33nMAssay Description:Inhibitory assay against ECE-2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataKi:  4nMAssay Description:Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidneyMore data for this Ligand-Target Pair
TargetThermolysin(Bacillus thermoproteolyticus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataKi:  28nMAssay Description:Inhibitory constant against thermolysin.More data for this Ligand-Target Pair
TargetElastase(Pseudomonas aeruginosa)TBA
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataKi:  57nMAssay Description:Inhibition of Pseudomonas aeruginosa LasB elastase using aminobenzoyl-Ala-Gly-Leu-Ala-p-nitro-benzyl-amide as substrate b microtiter-based fluorimetr...More data for this Ligand-Target Pair