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Ligand · YIJ

YIJ · (1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate

YIJ, (1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate (C31 H39 N O6, 521.6 g/mol), in the…

Component
YIJ
Formula
C31 H39 N O6
Class
ligand
Structures
1
PDB entries
1

Binding sites

YIJ in 1 structure; the first of them:

  • 8T6L · Cryo-EM structure of rat cardiac sodium channel NaV1.5 with batrachotoxin analog BTX-B · YIJ A3027 · binds GLN372, MET395, LEU396, ILE398, PHE399, PHE403, LEU1656, LEU1659 and 9 more

Residues it binds most

PHE 2, LEU 2, THR 2, GLY 2, CYS 1, ILE 2, MET 1, SER 1, ALA 1, GLN 1 (residue and the binding sites it lines).

Found with

  • 9Z9 · (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en
  • LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
  • Y01 · Cholesterol hemisuccinate
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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