Ligand · C39

C39 · N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide

C39, N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide (C27 H47 N3 O5, 493.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: C39
Formula: C27 H47 N3 O5
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

C39 in 2 structures; the first of them:

2V12 · Crystal Structure of Renin with Inhibitor 8 · C39 C350 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, SER41, SER42 and 22 more
2V12 · Crystal structure of renin with inhibitor 8 · C39 C350 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, SER41, SER42 and 22 more

Residues it binds most

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

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