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Ligand · IB8

IB8 · (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid

IB8, (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid (C29 H37 N3 O3, 475.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
IB8
Formula
C29 H37 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

IB8 in 2 structures; the first of them:

  • 2XWY · Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the… · IB8 A1532 · binds MET36, VAL37, LEU392, ALA393, ALA395, ALA396, ILE424, LEU425 and 8 more
  • 2XWY · Structure of mk-3281, a potent non-nucleoside finger-loop inhibitor, in complex with the… · IB8 A1532 · binds MET36, VAL37, LEU392, ALA393, ALA395, ALA396, ILE424, LEU425 and 8 more

Residues it binds most

ALA 2, LEU 2, VAL 2, ARG 2, GLY 2, HIS 2, ILE 2, MET 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion

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