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Ligand · 83H

83H · 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one

83H, 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one (C21 H24 N4 O, 348.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
83H
Formula
C21 H24 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

83H in 2 structures; the first of them:

  • 3COH · Crystal structure of Aurora-A in complex with a pentacyclic inhibitor · 83H A1 · binds LEU139, GLY140, VAL147, ALA160, LEU194, LEU210, GLU211, TYR212 and 5 more
  • 3COH · Crystal structure of aurora-a in complex with a pentacyclic inhibitor · 83H A1 · binds LEU139, GLY140, VAL147, ALA160, LEU194, LEU210, GLU211, TYR212 and 5 more

Residues it binds most

LEU 4, ALA 4, GLY 4, GLU 4, PRO 4, TYR 4, VAL 4 (residue and the binding sites it lines).

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