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Ligand · 0TM

0TM · 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide

0TM, 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide (C19 H18 Cl N5 O3 S, 431.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
0TM
Formula
C19 H18 Cl N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0TM in 2 structures; the first of them:

  • 4FCR · Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine… · 0TM A301 · binds LEU48, ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97 and 9 more
  • 4FCR · Targeting conserved water molecules: design of 4-aryl-5- CYANOPYRROLO[2,3-D]PYRIMIDINE… · 0TM A301 · binds LEU48, ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97 and 9 more

Residues it binds most

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

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