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Ligand · UA9

UA9 · [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate

UA9, [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]…

Component
UA9
Formula
C40 H56 N4 O7
Class
ligand
Structures
1
PDB entries
1

Binding sites

UA9 in 1 structure; the first of them:

  • 8CD9 · Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6 · UA9 AAA401 · binds GLN94, CYS97, GLY98, CYS100, TRP101, GLY138, LEU139, CYS141 and 16 more

Residues it binds most

GLY 1, CYS 1, GLU 1, HIS 1, ILE 1, LEU 1, TRP 1, ALA 1, GLN 1, PHE 1 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • EDO · 1,2-ethanediol

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