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Ligand · V17

V17 · (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone

V17, (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone (C28 H29 N5 O S, 483.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
V17
Formula
C28 H29 N5 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

V17 in 2 structures; the first of them:

  • 7NAA · Crystal structure of Mycobacterium tuberculosis H37Rv PknF kinase domain · V17 A600 · binds LEU18, GLY19, SER20, VAL26, ALA39, MET89, ASP90, PHE91 and 11 more
  • 7NAA · Crystal structure of mycobacterium tuberculosis H37RV pknf kinase domain · V17 A600 · binds LEU18, SER20, VAL26, ALA39, ASP90, PHE91, VAL92, GLY94 and 7 more

Residues it binds most

ASP 8, VAL 8, ALA 8, LEU 8, SER 8, GLY 8, PHE 8, THR 8, MET 3, ASN 2 (residue and the binding sites it lines).

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