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Ligand · X0J

X0J · 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide

X0J, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide (C42 H46 N6 O5 S2, 779.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
X0J
Formula
C42 H46 N6 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

X0J in 2 structures; the first of them:

  • 3INQ · Crystal structure of BCL-XL in complex with W1191542 · X0J A210 · binds ALA93, GLU96, PHE97, ARG100, TYR101, ALA104, LEU108, GLU129 and 11 more
  • 3INQ · Crystal structure of BCL-xl in complex with W1191542 · X0J A210 · binds ALA93, GLU96, PHE97, ARG100, TYR101, ALA104, LEU108, GLU129 and 11 more

Residues it binds most

ALA 4, ARG 4, PHE 4, LEU 4, TYR 4, VAL 4, GLU 4, ASN 4, GLY 4, TRP 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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