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Ligand · X21

X21 · tert-butyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

X21, tert-butyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate (C26 H26 Cl N7 O2, 504.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
X21
Formula
C26 H26 Cl N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

X21 in 2 structures; the first of them:

  • 4C4J · Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic… · X21 A1795 · binds ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, GLU571, LEU575 and 16 more
  • 4C4J · Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic… · X21 A1795 · binds ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, GLU571, LEU575 and 16 more

Residues it binds most

ILE 2, MET 2, ALA 2, GLN 2, GLU 2, GLY 2, LEU 2, ASN 2, ASP 2, CYS 2 (residue and the binding sites it lines).

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