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Ligand · TWH

TWH · 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

TWH, 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (C13 H16 N6, 256.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
TWH
Formula
C13 H16 N6
Class
ligand
Structures
2
PDB entries
1

Binding sites

TWH in 2 structures; the first of them:

  • 7BJR · Crystal structure of CHK1-10pt-mutant complex with compound 18 · TWH A301 · binds LEU15, GLY16, GLU17, GLY18, VAL23, ALA36, ILE68, MET84 and 8 more
  • 7BJR · Crystal structure of CHK1-10PT-mutant complex with compound 18 · TWH A301 · binds LEU15, GLY16, GLU17, GLY18, VAL23, ALA36, ILE68, MET84 and 7 more

Residues it binds most

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

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