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Ligand · D1A

D1A · N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide

D1A, N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide (C18 H17 N7 O3, 379.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
D1A
Formula
C18 H17 N7 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

D1A in 2 structures; the first of them:

  • 2W7X · Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel… · D1A A601 · binds LEU226, VAL234, ALA247, LYS249, ILE251, GLU273, ILE299, LEU301 and 10 more
  • 2W7X · Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel… · D1A A601 · binds LEU226, VAL234, ALA247, LYS249, ILE251, GLU273, ILE299, LEU301 and 10 more

Residues it binds most

LEU 2, GLU 2, GLY 2, ILE 2, ALA 2, ASP 2, LYS 2, MET 2, PHE 2, THR 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • NO3 · Nitrate ion
  • EDO · 1,2-ethanediol

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