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Ligand · A1D55

A1D55 · (5~{S},5~{a}~{S},8~{a}~{R},9~{R})-5-(quinolin-6-ylamino)-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

A1D55, (5~{S},5~{a}~{S},8~{a}~{R},9~{R})-5-(quinolin-6-ylamino)-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one (C31 H28 N2 O7, 540.6 g/mol), in the MolNFT structures on GenesisL1…

Component
A1D55
Formula
C31 H28 N2 O7
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1D55 in 1 structure; the first of them:

  • 8WMU · Structural basis of tubulin and heterocyclic podophyllotoxins complex for anticancer… · A1D55 B504 · binds ASN101, SER178, THR179, ALA180, VAL181, GLU183, TYR224, VAL236 and 19 more

Residues it binds most

ALA 1, ASN 1, LEU 1, THR 1, VAL 1, ILE 1, LYS 1, ASP 1, CYS 1, GLU 1 (residue and the binding sites it lines).

Found with

  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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