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Ligand · C40

C40 · N-[(2R,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl]-2-(3-methoxypropoxy)benzamide

C40, N-[(2R,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl]-2-(3-methoxypropoxy)benzamide (C25 H43 N3 O5, 465.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
C40
Formula
C25 H43 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

C40 in 2 structures; the first of them:

  • 2V13 · Crystal Structure of Renin with Inhibitor 7 · C40 A1341 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, SER41, LEU81 and 20 more
  • 2V13 · Crystal structure of renin with inhibitor 7 · C40 A1341 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, SER41, LEU81 and 20 more

Residues it binds most

THR 2, LEU 2, SER 2, TYR 2, ALA 2, ASP 2, GLY 2, ILE 2, PHE 2, VAL 2 (residue and the binding sites it lines).

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