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Ligand · TW2

TW2 · 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

TW2, 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (C15 H13 F N6, 296.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
TW2
Formula
C15 H13 F N6
Class
ligand
Structures
2
PDB entries
1

Binding sites

TW2 in 2 structures; the first of them:

  • 7BJM · Crystal structure of CHK1-10pt-mutant complex with compound 10 · TW2 A301 · binds LEU15, GLY16, VAL23, ALA36, ILE68, MET84, GLU85, LEU86 and 6 more
  • 7BJM · Crystal structure of CHK1-10PT-mutant complex with compound 10 · TW2 A301 · binds LEU15, VAL23, ALA36, MET84, GLU85, LEU86, ALA87, HIS134 and 3 more

Residues it binds most

LEU 2, ALA 2, ASN 2, ASP 2, GLU 2, HIS 2, MET 2, VAL 2, GLY 1, ILE 1 (residue and the binding sites it lines).

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