Ligand · C47

C47 · Methyl (3R)-1-[(5S,6S,8R)-5-amino-9-butylamino-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2H-quinoline-3-carboxylate

C47, Methyl (3R)-1-[(5S,6S,8R)-5-amino-9-butylamino-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2H-quinoline-3-carboxylate (C27 H43 N3 O5, 489.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component: C47
Formula: C27 H43 N3 O5
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

C47 in 2 structures; the first of them:

2V16 · Crystal Structure of Renin with Inhibitor 3 · C47 C1327 · binds THR12, GLN13, TYR14, VAL30, ASP32, GLY34, SER35, ARG74 and 16 more
2V16 · Crystal structure of renin with inhibitor 3 · C47 C1327 · binds THR12, GLN13, TYR14, VAL30, ASP32, GLY34, SER35, ARG74 and 16 more

Residues it binds most

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

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