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Ligand · C8U

C8U · methyl (4~{S})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

C8U, methyl (4~{S})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate (C16 H15 F3 N2 O4, 356.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with…

Component
C8U
Formula
C16 H15 F3 N2 O4
Class
ligand
Structures
5
PDB entries
3

Binding sites

C8U in 5 structures; the first of them:

  • 7JPK · Rabbit Cav1.1 in the presence of 100 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.0… · C8U A1911 · binds VAL932, THR935, THR936, GLN939, PHE1008, SER1011, THR1012, TYR1048 and 7 more
  • 7JPL · Rabbit Cav1.1 in the presence of 10 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.4… · C8U A1912 · binds VAL932, THR935, GLN939, PHE1008, SER1011, THR1012, TYR1048, ILE1052 and 6 more
  • 6JP8 · Rabbit CAV1.1-bay K8644 complex · C8U A1901 · binds VAL932, THR935, THR936, GLN939, PHE1008, SER1011, THR1012, TYR1048 and 3 more
  • 7JPK · Rabbit CAV1.1 in the presence of 100 micromolar (S)-(-)-bay K8644 in nanodiscs at 3.0… · C8U A1911 · binds VAL932, THR935, THR936, GLN939, PHE1008, SER1011, THR1012, TYR1048 and 4 more
  • 7JPL · Rabbit CAV1.1 in the presence of 10 micromolar (S)-(-)-bay K8644 in nanodiscs at 3.4… · C8U A1912 · binds VAL932, THR935, GLN939, PHE1008, SER1011, THR1012, MET1056, MET1057 and 3 more

Residues it binds most

MET 5, THR 5, PHE 5, TYR 5, GLN 5, SER 5, VAL 5, ALA 3, ILE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine
  • PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine
  • ETA · Ethanolamine
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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