GL1X · GenesisL1 explorer

Ligand · 0IU

0IU · (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide

0IU, (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide (C34 H53 N5 O5 S, 643.9 g/mol), in the MolNFT…

Component
0IU
Formula
C34 H53 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0IU in 2 structures; the first of them:

  • 1BIL · Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors · 0IU A391 · binds THR12, GLN13, VAL30, ASP32, GLY34, TYR75, SER76, THR77 and 18 more
  • 1BIL · Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors · 0IU A391 · binds THR12, GLN13, VAL30, ASP32, GLY34, TYR75, SER76, THR77 and 18 more

Residues it binds most

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

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