Ligand · M90
M90 · (2S)-1-{[(2R)-1-{[(2S,3R)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate
M90, (2S)-1-{[(2R)-1-{[(2S,3R)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate (C34 H49 N5 O6 S, 655.9 g/mol), in the MolNFT…
- Component
- M90
- Formula
- C34 H49 N5 O6 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
M90 in 2 structures; the first of them:
- 1E82 · Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD59601 · M90 E400 · binds ILE7, ASP12, ALA13, ASP30, ASP32, GLY34, TYR75, GLY76 and 18 more
- 1E82 · Endothiapepsin complex with renin inhibitor merck-kgaa-EMD59601 · M90 E400 · binds ILE7, ASP12, ALA13, ASP30, ASP32, GLY34, TYR75, GLY76 and 18 more
Residues it binds most
ASP 2, ILE 2, GLY 2, PHE 2, LEU 2, THR 2, TYR 2, ALA 2, SER 2 (residue and the binding sites it lines).
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