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Ligand · 2O7

2O7 · 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile

2O7, 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile (C22 H15 Cl2 N3 O, 408.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
2O7
Formula
C22 H15 Cl2 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

2O7 in 2 structures; the first of them:

  • 2O7N · CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-o… · 2O7 A1 · binds VAL130, LEU132, PHE134, PHE153, VAL157, LEU161, TYR166, VAL233 and 9 more
  • 2O7N · CD11A (LFA1) I-domain complexed with 7A-[(4-CYANOPHENYL)METHYL]-6-(3… · 2O7 A1 · binds VAL130, LEU132, PHE134, PHE153, VAL157, LEU161, TYR166, VAL233 and 9 more

Residues it binds most

ILE 2, LEU 2, VAL 2, LYS 2, PHE 2, TYR 2, GLN 2, GLU 2 (residue and the binding sites it lines).

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