GL1X · GenesisL1 explorer

Ligand · 0DU

0DU · N-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-L-phenylalanine

0DU, N-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-L-phenylalanine (C24 H19 Cl2 F3 N2 O4, 527.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
0DU
Formula
C24 H19 Cl2 F3 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

0DU in 2 structures; the first of them:

  • 3V4V · crystal structure of a4b7 headpiece complexed with Fab ACT-1 and RO0505376 · 0DU B4000 · binds TYR187, PHE214, SER142, TYR143, SER144, PRO196, CYS197, PRO198 and 6 more
  • 3V4V · Crystal structure of A4B7 headpiece complexed with Fab act-1 and RO0505376 · 0DU B4000 · binds TYR187, PHE214, SER142, TYR143, SER144, PRO196, CYS197, PRO198 and 6 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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