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Ligand · X0B

X0B · 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid

X0B, 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid (C31 H29 N5 O3 S2, 583.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
X0B
Formula
C31 H29 N5 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

X0B in 2 structures; the first of them:

  • 3ZLR · Crystal structure of BCL-XL in complex with inhibitor (WEHI-539) · X0B A1198 · binds ALA93, GLU96, PHE97, TYR101, ARG102, PHE105, SER106, ASP107 and 14 more
  • 3ZLR · Crystal structure of BCL-xl in complex with inhibitor (wehi-539) · X0B A1198 · binds ALA93, GLU96, PHE97, TYR101, ARG102, PHE105, SER106, ASP107 and 14 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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