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Ligand · C0M

C0M · N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-YL}1-naphthalenecarboxamide

C0M, N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-YL}1-naphthalenecarboxamide (C27 H28 N4 O2 S, 472.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
C0M
Formula
C27 H28 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

C0M in 2 structures; the first of them:

  • 2O0U · Crystal structure of human JNK3 complexed with… · C0M A2000 · binds ILE70, VAL78, ALA91, ILE92, LYS93, MET115, ILE124, LEU126 and 12 more
  • 2O0U · Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1… · C0M A2000 · binds ILE70, VAL78, ALA91, ILE92, LYS93, MET115, ILE124, LEU126 and 12 more

Residues it binds most

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

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