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Ligand · V3S

V3S · (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide

V3S, (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide (C16 H21 N5 O2, 315.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
V3S
Formula
C16 H21 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

V3S in 2 structures; the first of them:

  • 6XIH · Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3… · V3S A1000 · binds LEU686, GLY687, LYS688, GLY689, VAL694, ALA707, LYS709, VAL738 and 12 more
  • 6XIH · Structure-guided optimization of a novel class of ASK1 inhibitors with increased SP3… · V3S A1000 · binds LEU686, GLY687, GLY689, VAL694, ALA707, LYS709, VAL738, MET754 and 11 more

Residues it binds most

GLY 4, VAL 4, ASP 4, LEU 4, SER 4, LYS 4, ALA 4, GLN 4, GLU 4, MET 4 (residue and the binding sites it lines).

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