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Ligand · L1A

L1A · N-(morpholin-4-ylsulfonyl)-L-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-N-{(1R,2R,3S)-1-[(1R)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-L-alaninamide

L1A, N-(morpholin-4-ylsulfonyl)-L-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-N-{(1R,2R,3S)-1-[(1R)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-L-alaninamide (C33 H50 N6 O7 S2, 706.9 g/mol), in the MolNFT structures on GenesisL1…

Component
L1A
Formula
C33 H50 N6 O7 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

L1A in 2 structures; the first of them:

  • 2G20 · Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring · L1A A885 · binds GLN14, VAL31, ASP33, GLY35, TYR78, SER79, THR80, PRO113 and 17 more
  • 2G20 · Ketopiperazine-based renin inhibitors: optimization of the C ring · L1A A885 · binds GLN14, VAL31, ASP33, GLY35, TYR78, SER79, THR80, PRO113 and 17 more

Residues it binds most

ALA 4, SER 4, ASP 4, GLY 4, ILE 4, LEU 4, PHE 4, TYR 4, VAL 4, THR 4 (residue and the binding sites it lines).

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