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Ligand · 86C

86C · 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3, 4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide

86C, 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3, 4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide (C21 H17 Cl F N5 O2 S, 457.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
86C
Formula
C21 H17 Cl F N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

86C in 2 structures; the first of them:

  • 7S1N · N-Aromatic-Substituted Indazole Derivatives as Brain Penetrant and Orally Bioavailable… · 86C A1101 · binds ILE70, SER72, VAL78, ALA91, ILE92, LYS93, ILE124, LEU126 and 12 more
  • 7S1N · N-aromatic-substituted indazole derivatives as brain penetrant and orally bioavailable… · 86C A1101 · binds ILE70, VAL78, ALA91, ILE92, LYS93, ILE124, LEU126, LEU144 and 10 more

Residues it binds most

LEU 2, ILE 2, VAL 2, ALA 2, MET 2, ASN 2, ASP 2, GLN 2, GLU 2, LYS 2 (residue and the binding sites it lines).

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