Ligand · VSI

VSI · N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide

VSI, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide (C21 H18 Cl2 N6 O2, 457.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component: VSI
Formula: C21 H18 Cl2 N6 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

VSI in 2 structures; the first of them:

4IVS · Crystal structure of BACE1 with its inhibitor · VSI A401 · binds LEU30, ASP32, GLY34, TYR71, THR72, GLY74, LYS107, PHE108 and 9 more
4IVS · Crystal structure of BACE1 with its inhibitor · VSI A401 · binds LEU30, ASP32, GLY34, TYR71, THR72, GLY74, LYS107, PHE108 and 9 more

Residues it binds most

GLY 2, THR 2, ASP 2, ILE 2, ARG 2, LEU 2, LYS 2, PHE 2, SER 2, TRP 2 (residue and the binding sites it lines).

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