Ligand · VG5
VG5 · N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
VG5, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide (C32 H45 N5 O4, 563.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2…
- Component
- VG5
- Formula
- C32 H45 N5 O4
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
VG5 in 4 structures; the first of them:
- 2VJ6 · Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)… · VG5 A1447 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 20 more
- 2XFJ · Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)… · VG5 A500 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 19 more
- 2VJ6 · Human bace-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)… · VG5 A1447 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 20 more
- 2XFJ · Human bace-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)… · VG5 A500 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 19 more
Residues it binds most
GLY 4, ILE 4, THR 4, SER 4, ARG 4, ASP 4, GLN 4, TYR 4, ASN 4, LEU 4 (residue and the binding sites it lines).
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