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Ligand · L9N

L9N · (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine

L9N, (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine (C19 H20 N6 S, 364.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
L9N
Formula
C19 H20 N6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

L9N in 2 structures; the first of them:

  • 3L9N · crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 · L9N A351 · binds LEU49, GLY50, PHE54, VAL57, ALA70, LYS72, GLU91, VAL104 and 11 more
  • 3L9N · Crystal structure of PKAB3 (PKA triple mutant V123A, L173M, Q181K) with compound 27 · L9N A351 · binds LEU49, GLY50, PHE54, VAL57, ALA70, LYS72, GLU91, VAL104 and 11 more

Residues it binds most

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

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