Ligand · VG3
VG3 · N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
VG3, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide (C31 H45 N3 O5 S, 571.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…
- Component
- VG3
- Formula
- C31 H45 N3 O5 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
VG3 in 2 structures; the first of them:
- 2VIY · Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)… · VG3 A1448 · binds LEU91, ASP93, GLY95, SER96, VAL130, PRO131, TYR132, THR133 and 17 more
- 2VIY · Human bace-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)… · VG3 A1448 · binds LEU91, ASP93, GLY95, SER96, VAL130, PRO131, TYR132, THR133 and 17 more
Residues it binds most
GLY 2, ILE 2, THR 2, ARG 2, ASP 2, LEU 2, SER 2, TYR 2, ASN 2, GLN 2 (residue and the binding sites it lines).
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