Ligand · 2JR
2JR · 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
2JR, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole (C21 H25 N3 S, 351.5 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…
- Component
- 2JR
- Formula
- C21 H25 N3 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
2JR in 4 structures; the first of them:
- 4NEV · Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with… · 2JR A502 · binds LEU17, GLU18, TRP21, SER109, TYR110, GLY112, MET113, ASP116
- 4NEW · Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with… · 2JR A502 · binds LEU18, GLU19, TRP22, ASN106, ILE107, SER110, TYR111, MET114
- 4NEV · Crystal structure of trypanothione reductase from trypanosoma brucei in complex with… · 2JR A502 · binds LEU17, GLU18, TRP21, SER109, TYR110, GLY112, MET113, ASP116
- 4NEW · Crystal structure of trypanothione reductase from trypanosoma cruzi in complex with… · 2JR A502 · binds LEU18, GLU19, TRP22, ASN106, ILE107, SER110, TYR111, MET114
Residues it binds most
TYR 8, GLU 8, LEU 6, MET 6, SER 6, TRP 6, ASN 4, ASP 4, GLY 4, PRO 2 (residue and the binding sites it lines).
Found with
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