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Ligand · C72

C72 · 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide

C72, 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide (C19 H19 Cl N4 O S, 386.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
C72
Formula
C19 H19 Cl N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

C72 in 2 structures; the first of them:

  • 3PA4 · X-ray crystal structure of compound 2a bound to human CHK1 kinase domain · C72 A1 · binds LEU15, GLY16, GLU17, GLY18, VAL23, ALA36, VAL68, LEU84 and 11 more
  • 3PA4 · X-ray crystal structure of compound 2A bound to human CHK1 kinase domain · C72 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).

Found with

  • GOL · Glycerol

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