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Ligand · C70

C70 · 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide

C70, 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide (C18 H18 Cl N5 O S, 387.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
C70
Formula
C18 H18 Cl N5 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

C70 in 2 structures; the first of them:

  • 3PA3 · X-ray crystal structure of compound 70 bound to human CHK1 kinase domain · C70 A1 · binds LEU15, GLY16, GLU17, GLY18, VAL23, ALA36, VAL68, LEU84 and 11 more
  • 3PA3 · X-ray crystal structure of compound 70 bound to human CHK1 kinase domain · C70 A1 · binds LEU15, GLY16, GLU17, GLY18, VAL23, ALA36, VAL68, LEU84 and 11 more

Residues it binds most

GLU 2, GLY 2, LEU 2, SER 2, VAL 2, ALA 2, ASN 2, ASP 2, CYS 2, TYR 2 (residue and the binding sites it lines).

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