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Ligand · VFA

VFA · N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide

VFA, N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide (C21 H18 N2 O3, 346.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
VFA
Formula
C21 H18 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

VFA in 2 structures; the first of them:

  • 7JNT · Crystal structure of rho-associated protein kinase 2 (ROCK2) in complex with a potent and… · VFA A501 · binds ILE98, ARG100, GLY101, ALA102, PHE103, GLY104, GLU105, VAL106 and 15 more
  • 7JNT · Crystal structure of rho-associated protein kinase 2 (ROCK2) in complex with a potent and… · VFA A501 · binds ILE98, GLY101, ALA102, PHE103, GLY104, GLU105, VAL106, ALA119 and 11 more

Residues it binds most

ALA 16, LEU 16, GLU 16, PHE 16, GLY 16, MET 16, VAL 16, ASP 16, ILE 16, LYS 16 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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