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Ligand · 43B

43B · 3-nitro-N-{4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzoyl}-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide

43B, 3-nitro-N-{4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzoyl}-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide (C36 H30 N4 O5 S3, 694.8 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every…

Component
43B
Formula
C36 H30 N4 O5 S3
Class
ligand
Structures
8
PDB entries
4

Binding sites

43B in 8 structures; the first of them:

  • 1YSN · Solution structure of the anti-apoptotic protein Bcl-xL complexed with an… · 43B A1000 · binds ALA97, GLU100, PHE101, ARG104, TYR105, ALA108, LEU112, GLN115 and 11 more
  • 1YSW · Solution structure of the anti-apoptotic protein Bcl-2 complexed with an… · 43B A1000 · binds GLN96, ALA97, ASP100, PHE101, TYR105, PHE109, MET112, VAL130 and 12 more
  • 2O1Y · Solution structure of the anti-apoptotic protein Bcl-xL in complex with an… · 43B A1000 · binds ALA97, GLU100, PHE101, ARG104, TYR105, ALA108, LEU112, GLN115 and 11 more
  • 2O21 · Solution structure of the anti-apoptotic protein Bcl-2 in complex with an… · 43B A1000 · binds GLN96, ALA97, ASP100, PHE101, TYR105, PHE109, MET112, VAL130 and 12 more
  • 1YSN · Solution structure of the anti-apoptotic protein BCL-xl complexed with an… · 43B A1000 · binds ALA97, GLU100, PHE101, ARG104, TYR105, ALA108, LEU112, GLN115 and 11 more
  • 1YSW · Solution structure of the anti-apoptotic protein BCL-2 complexed with an… · 43B A1000 · binds GLN96, ALA97, ASP100, PHE101, TYR105, PHE109, MET112, VAL130 and 12 more
  • 2O1Y · Solution structure of the anti-apoptotic protein BCL-xl in complex with an… · 43B A1000 · binds ALA97, GLU100, PHE101, ARG104, TYR105, ALA108, LEU112, GLN115 and 11 more
  • 2O21 · Solution structure of the anti-apoptotic protein BCL-2 in complex with an… · 43B A1000 · binds GLN96, ALA97, ASP100, PHE101, TYR105, PHE109, MET112, VAL130 and 12 more

Residues it binds most

PHE 8, ALA 8, VAL 8, GLU 8, TYR 8, ARG 8, LEU 8, GLN 8, GLY 8, TRP 8 (residue and the binding sites it lines).

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