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Ligand · 3CQ

3CQ · 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid

3CQ, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid (C35 H32 F N5 O4 S2, 669.8 g/mol), in the MolNFT structures on…

Component
3CQ
Formula
C35 H32 F N5 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3CQ in 2 structures; the first of them:

  • 4QVX · Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia… · 3CQ A301 · binds ALA93, GLU96, PHE97, TYR101, ARG102, PHE105, SER106, ASP107 and 14 more
  • 4QVX · Discovery of a potent and selective BCL-xl inhibitor that demonstrates thrombocytopenia… · 3CQ A301 · binds ALA93, GLU96, PHE97, TYR101, ARG102, PHE105, SER106, ASP107 and 14 more

Residues it binds most

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

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