Ligand · 4XI

4XI · 5-[[(2S)-2-(4-chlorophenyl)-1'-methyl-spiro[2h-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide

4XI, 5-[[(2S)-2-(4-chlorophenyl)-1'-methyl-spiro[2h-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide (C25 H26 Cl N3 O2 S, 468.0 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component: 4XI
Formula: C25 H26 Cl N3 O2 S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

4XI in 1 structure; the first of them:

7P2V · Crystal structure of schistosoma mansoni HDAC8 in complex with a 4… · 4XI A505 · binds HIS189, GLU194, GLU195, TRP198, THR219, GLY220, THR221, LEU234

Residues it binds most

GLU 1, THR 1, GLY 1, HIS 1, LEU 1, TRP 1 (residue and the binding sites it lines).

Found with

K · Potassium ion
ZN · Zinc ion
PEG · Di(hydroxyethyl)ether
TLA · L(+)-tartaric acid

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