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Ligand · 1A6

1A6 · 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine

1A6, 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine (C11 H10 N4 O S, 246.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
1A6
Formula
C11 H10 N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1A6 in 2 structures; the first of them:

  • 4HXO · Brd4 Bromodomain 1 complex with 3-{[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]SULFANYL}[1,2,4]TRIAZ… · 1A6 A201 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136 and 4 more
  • 4HXO · BRD4 bromodomain 1 complex with 3-{[(3-methyl-1,2-oxazol-5-yl)… · 1A6 A201 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136 and 4 more

Residues it binds most

LEU 2, TYR 2, ASN 2, CYS 2, ILE 2, MET 2, PHE 2, PRO 2, TRP 2, VAL 2 (residue and the binding sites it lines).

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