GL1X · GenesisL1 explorer

Ligand · 1A0

1A0 · (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine

1A0, (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine (C19 H19 Cl N8 S, 426.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
1A0
Formula
C19 H19 Cl N8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1A0 in 2 structures; the first of them:

  • 4HXW · Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure… · 1A0 A301 · binds ILE52, ASN55, SER56, GLU59, VAL80, ASP82, ARG85, GLY86 and 7 more
  • 4HXW · Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure… · 1A0 A301 · binds ILE52, ASN55, SER56, GLU59, VAL80, ASP82, ARG85, GLY86 and 7 more

Residues it binds most

VAL 2, ILE 2, SER 2, ARG 2, ASN 2, ASP 2, GLU 2, GLY 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • TBU · Tertiary-butyl alcohol

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