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Ligand · 6IX

6IX · (2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide

6IX, (2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide (C38 H53 N3 O3, 599.9 g/mol), in the MolNFT structures on…

Component
6IX
Formula
C38 H53 N3 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

6IX in 1 structure; the first of them:

  • 7VFV · Human N-type voltage gated calcium channel CAV2.2-ALPHA2/DELTA1-BETA1 complex, bound to… · 6IX A2421 · binds MET313, PHE345, LEU348, LEU352, LEU1286, TYR1289, PHE1359, SER1362 and 10 more

Residues it binds most

PHE 1, LEU 1, SER 1, ALA 1, ILE 1, MET 1, THR 1, TYR 1, VAL 1 (residue and the binding sites it lines).

Found with

  • PT5 · (1S)-2-{[(R)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy) cyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy) methyl]ethyl (8E,11E)-icosa-5,8,11,14-tetraenoate
  • R16 · Hexadecane
  • Y01 · Cholesterol hemisuccinate
  • CA · Calcium ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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