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Ligand · 2IC

2IC · 5-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid

2IC, 5-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid (C26 H20 Cl2 N4 O4 S, 555.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
2IC
Formula
C26 H20 Cl2 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2IC in 2 structures; the first of them:

  • 2ICA · CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S… · 2IC A1 · binds LEU132, PHE134, PHE153, VAL157, LEU161, TYR166, THR231, VAL233 and 12 more
  • 2ICA · CD11A (LFA1) I-domain complexed with bms-587101 aka 5-[(5S, 9R)-9-(4… · 2IC A1 · binds LEU132, PHE134, PHE153, VAL157, LEU161, TYR166, THR231, VAL233 and 12 more

Residues it binds most

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

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