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Ligand · 37D

37D · methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate

37D, methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate (C10 H10 N2 O3, 206.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
37D
Formula
C10 H10 N2 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

37D in 4 structures; the first of them:

  • 3HYY · Crystal structure of Hsp90 with fragment 37-D04 · 37D A237 · binds ASN51, MET98, LEU103, LEU107, ILE110, ALA111, GLY135, PHE138 and 5 more
  • 3HZ1 · Crystal structure of Hsp90 with fragments 37-D04 and 42-C03 · 37D A238 · binds MET98, LEU103, LEU107, ALA111, GLY135, VAL136, PHE138, TYR139 and 4 more
  • 3HYY · Crystal structure of HSP90 with fragment 37-D04 · 37D A237 · binds ASN51, MET98, LEU103, LEU107, ILE110, ALA111, GLY135, PHE138 and 5 more
  • 3HZ1 · Crystal structure of HSP90 with fragments 37-D04 and 42-C03 · 37D A238 · binds MET98, LEU103, LEU107, ALA111, GLY135, VAL136, PHE138, TYR139 and 4 more

Residues it binds most

VAL 4, LEU 4, ALA 4, GLY 4, MET 4, PHE 4, THR 4, TRP 4, TYR 4, ASN 2 (residue and the binding sites it lines).

Found with

  • 42C · N,N-dimethyl-7H-purin-6-amine

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