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Ligand · NDX

NDX · [[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{A}~{S}, 3~{B}~{S},5~{A}~{R},8~{S},9~{A}~{R},9~{B}~{S}, 11~{A}~{S})-1-(~{tert}-butylcarbamoyl)-9~{A},11~{A}-dimethyl-7-oxidanylidene-1,2,3,3~{A},3~{B},4,5,5~{A}, 6,8,9,9~{B},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate

NDX, [[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{A}~{S}, 3~{B}~{S},5~{A}~{R},8~{S},9~{A}~{R},9~{B}~{S}, 11~{A}~{S})-1-(~{tert}-butylcarbamoyl)-9~{A},11~{A}-dimethyl-7-oxidanylidene-1,2,3,3~{A},3~{B},4,5,5~{A}…

Component
NDX
Formula
C44 H66 N9 O19 P3
Class
ligand
Structures
2
PDB entries
1

Binding sites

NDX in 2 structures; the first of them:

  • 7BW1 · Crystal structure of Steroid 5-alpha-reductase 2 in complex with Finasteride · NDX A602 · binds LEU20, LEU23, ALA24, SER31, TYR33, GLY34, LYS35, TRP53 and 35 more
  • 7BW1 · Crystal structure of steroid 5-alpha-reductase 2 in complex with finasteride · NDX A602 · binds LEU23, ALA24, SER31, TYR33, GLY34, LYS35, TRP53, GLN56 and 32 more

Residues it binds most

ARG 2, LEU 2, TYR 2, PHE 2, ASN 2, GLY 2, SER 2, GLU 2, TRP 2, ALA 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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