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Ligand · L1E

L1E · N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine

L1E, N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine (C26 H19 Cl N8, 478.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
L1E
Formula
C26 H19 Cl N8
Class
ligand
Structures
2
PDB entries
1

Binding sites

L1E in 2 structures; the first of them:

  • 3IDP · B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor · L1E B1 · binds ILE463, VAL471, ALA481, VAL482, LYS483, GLU501, VAL504, LEU505 and 12 more
  • 3IDP · B-RAF V600E kinase domain in complex with an aminoisoquinoline inhibitor · L1E B1 · binds ILE463, VAL471, ALA481, VAL482, LYS483, GLU501, VAL504, LEU505 and 12 more

Residues it binds most

ILE 4, LEU 4, VAL 4, PHE 4, ALA 4, ASP 4, CYS 4, GLN 4, GLU 4, GLY 4 (residue and the binding sites it lines).

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