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Ligand · CI9

CI9 · N-({(1S)-5-[4-(13-{[2,4-bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1H-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-L-glutamic acid

CI9, N-({(1S)-5-[4-(13-{[2,4-bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1H-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-L-glutamic acid (C29 H46 N8 O15, 746.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
CI9
Formula
C29 H46 N8 O15
Class
ligand
Structures
2
PDB entries
1

Binding sites

CI9 in 2 structures; the first of them:

  • 2XEG · Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P4 · CI9 A1768 · binds LYS207, VAL208, PHE209, ARG210, GLY256, ASN257, ASP387, GLU424 and 25 more
  • 2XEG · Human glutamate carboxypeptidase II in complex with antibody- recruiting molecule arm-P4 · CI9 A1768 · binds LYS207, VAL208, PHE209, ARG210, GLY256, ASN257, ASP387, GLU424 and 25 more

Residues it binds most

ARG 2, GLY 2, ASN 2, ASP 2, GLU 2, SER 2, LYS 2, THR 2, TYR 2, ALA 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion

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