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Ligand · 83P

83P · (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide

83P, (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide (C27 H24 N6 O3, 480.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
83P
Formula
C27 H24 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

83P in 2 structures; the first of them:

  • 5U9D · Discovery of a potent BTK inhibitor with a novel binding mode using parallel selections… · 83P A701 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, GLY414, VAL415 and 17 more
  • 5U9D · Discovery of a potent btk inhibitor with a novel binding mode using parallel selections… · 83P A701 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, GLY414, VAL416 and 13 more

Residues it binds most

GLY 2, LEU 2, ILE 2, MET 2, THR 2, TYR 2, VAL 2, ALA 2, ASP 2, GLN 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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