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Ligand · 4T5

4T5 · N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine

4T5, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine (C17 H25 N7, 327.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
4T5
Formula
C17 H25 N7
Class
ligand
Structures
2
PDB entries
1

Binding sites

4T5 in 2 structures; the first of them:

  • 4ZY5 · Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17 · 4T5 A601 · binds ILE276, VAL284, ALA297, VAL328, MET344, GLU345, TYR346, LEU347 and 5 more
  • 4ZY5 · Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 17 · 4T5 A601 · binds ILE276, VAL284, ALA297, VAL328, MET344, GLU345, TYR346, LEU347 and 5 more

Residues it binds most

LEU 4, VAL 4, ASP 4, ALA 4, ASN 4, GLU 4, GLY 4, ILE 4, MET 4, THR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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