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Ligand · 1RO

1RO · (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one

1RO, (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one (C18 H13 N3 O S2, 351.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
1RO
Formula
C18 H13 N3 O S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1RO in 2 structures; the first of them:

  • 5O12 · Crystal structure of PIM1 kinase in complex with small-molecule inhibitor · 1RO A401 · binds LEU44, SER46, SER51, VAL52, ALA65, LYS67, HIS68, GLU89 and 9 more
  • 5O12 · Crystal structure of PIM1 kinase in complex with small-molecule inhibitor · 1RO A401 · binds LEU44, SER46, SER51, VAL52, ALA65, LYS67, HIS68, LEU120 and 6 more

Residues it binds most

LEU 2, SER 2, VAL 2, GLU 2, ILE 2, ALA 2, ARG 2, ASP 2, HIS 2, LYS 2 (residue and the binding sites it lines).

Found with

  • IMD · Imidazole

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