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Ligand · 1VW

1VW · 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione

1VW, 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione (C26 H26 N6 O3, 470.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
1VW
Formula
C26 H26 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1VW in 2 structures; the first of them:

  • 4L7C · Structure of keap1 kelch domain with 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]c… · 1VW A701 · binds TYR334, GLY364, ARG380, ASN382, ASN414, ARG415, GLY462, GLY509 and 5 more
  • 4L7C · Structure of KEAP1 kelch domain with 2-{[(1S)-2-{[(1R,2S)-2-(1H… · 1VW A701 · binds TYR334, GLY364, ARG380, ASN382, ASN414, ARG415, GLY462, GLY509 and 5 more

Residues it binds most

GLY 6, ARG 6, ASN 6, TYR 6, ALA 6, PHE 6, SER 6 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion

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