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Ligand · CVL

CVL · 5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl) phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one

CVL, 5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl) phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one (C26 H32 N6 O4, 492.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
CVL
Formula
C26 H32 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

CVL in 2 structures; the first of them:

  • 5L9H · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340 · CVL A1005 · binds MET785, ASN825, TRP836, ALA837, VAL840, PHE844, MET861, GLN874 and 4 more
  • 5L9H · Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-340 · CVL A1005 · binds MET785, ASN825, TRP836, ALA837, VAL840, PHE844, MET861, GLN874 and 4 more

Residues it binds most

PHE 4, MET 4, VAL 4, ALA 4, ASN 4, GLN 4, GLY 2, LEU 2, TRP 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • FMT · Formic acid
  • GOL · Glycerol

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