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Ligand · 51A

51A · N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl) methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide

51A, N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl) methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide (C21 H17 F N6 O2, 404.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
51A
Formula
C21 H17 F N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

51A in 2 structures; the first of them:

  • 7P3C · EED in complex with compound 4 · 51A B501 · binds PHE97, TYR148, ASN194, LYS211, LEU240, ASP310, TYR365, MET366 and 2 more
  • 7P3C · Eed in complex with compound 4 · 51A B501 · binds PHE97, TYR148, ASN194, LYS211, LEU240, ASP310, TYR365, MET366 and 2 more

Residues it binds most

ARG 2, TYR 2, ASN 2, ASP 2, LEU 2, LYS 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • L9W · N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

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