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Ligand · I4I

I4I · 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide

I4I, 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide (C26 H32 N4 O8, 528.5 g/mol), in the MolNFT structures on…

Component
I4I
Formula
C26 H32 N4 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

I4I in 2 structures; the first of them:

  • 4BGI · Crystal structure of InhA(S94A) mutant in complex with OH-141 · I4I A1270 · binds ILE21, ALA94, ILE95, GLY96, MET103, MET147, ASP148, PHE149 and 10 more
  • 4BGI · Crystal structure of INHA(S94A) mutant in complex with oh-141 · I4I A1270 · binds ILE21, ALA94, ILE95, GLY96, MET103, MET147, ASP148, PHE149 and 10 more

Residues it binds most

MET 6, ILE 6, ALA 6, GLY 6, ASP 6, LEU 6, LYS 6, PHE 6, PRO 6, TYR 6 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide

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