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Ligand · J3E

J3E · 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid

J3E, 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid (C27 H25 N3 O3, 439.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
J3E
Formula
C27 H25 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

J3E in 2 structures; the first of them:

  • 6QFQ · Structure of human Mcl-1 in complex with indole acid inhibitor · J3E A401 · binds HIS224, ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250 and 10 more
  • 6QFQ · Structure of human mcl-1 in complex with indole acid inhibitor · J3E A401 · binds HIS224, ALA227, PHE228, VAL249, MET250, VAL253, PHE254, ARG263 and 6 more

Residues it binds most

PHE 4, VAL 4, LEU 2, ARG 4, GLY 4, HIS 4, MET 2, THR 3, ALA 2, ASN 2 (residue and the binding sites it lines).

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