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Ligand · IDW

IDW · ~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

IDW, ~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (C20 H20 N8 O S, 420.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
IDW
Formula
C20 H20 N8 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

IDW in 2 structures; the first of them:

  • 7Z5W · ROS1 with AstraZeneca ligand 1 · IDW A2301 · binds LEU1951, GLY1952, VAL1959, ALA1978, LEU2010, LEU2026, GLU2027, LEU2028 and 10 more
  • 7Z5W · ROS1 with astrazeneca ligand 1 · IDW A2301 · binds LEU1951, GLY1952, VAL1959, ALA1978, LEU2026, GLU2027, LEU2028, MET2029 and 6 more

Residues it binds most

LEU 4, GLY 4, GLU 4, ASP 4, ALA 4, ARG 4, ASN 4, MET 4, VAL 4, CYS 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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