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Ligand · 4D7

4D7 · 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine

4D7, 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine (C16 H15 N3 O4, 313.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
4D7
Formula
C16 H15 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

4D7 in 2 structures; the first of them:

  • 3KAG · Structure-guided design of alpha-amino acid-derived Pin1 inhibitors · 4D7 A164 · binds HIS59, LEU61, LYS63, ARG69, CYS113, SER114, SER115, LEU122 and 5 more
  • 3KAG · Structure-guided design of alpha-amino acid-derived PIN1 inhibitors · 4D7 A164 · binds HIS59, LEU61, LYS63, ARG69, CYS113, SER114, SER115, LEU122 and 5 more

Residues it binds most

SER 2, HIS 2, LEU 2, ARG 2, CYS 2, GLN 2, LYS 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • 12P · Dodecaethylene glycol

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