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Ligand · IBD

IBD · 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

IBD, 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (C21 H25 Cl2 N5 O2 S, 482.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
IBD
Formula
C21 H25 Cl2 N5 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

IBD in 4 structures; the first of them:

  • 3OMU · Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei… · IBD A215 · binds ASN37, SER38, ALA41, ASP79, ILE82, GLY83, MET84, ASP88 and 13 more
  • 3PEH · Crystal Structure of the N-terminal domain of an HSP90 from Plasmodium Falciparum… · IBD A1001 · binds ASN106, ALA107, ALA110, ASP148, ILE151, GLY152, MET153, ASP157 and 11 more
  • 3OMU · Crystal structure of the N-terminal domain of an HSP90 from trypanosoma brucei… · IBD A215 · binds ASN37, SER38, ALA41, ASP79, ILE82, GLY83, MET84, ASP88 and 13 more
  • 3PEH · Crystal structure of the N-terminal domain of an HSP90 from plasmodium falciparum… · IBD A1001 · binds ASN106, ALA107, ALA110, ASP148, ILE151, GLY152, MET153, ASP157 and 11 more

Residues it binds most

ASN 8, ILE 8, GLY 8, ALA 8, ASP 8, PHE 8, THR 8, MET 8, VAL 8, GLN 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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