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Ligand · S7T

S7T · 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl) phenyl)-5-methyl-1H-pyrrole-2-carboxamide

S7T, 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl) phenyl)-5-methyl-1H-pyrrole-2-carboxamide (C19 H23 N3 O4, 357.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
S7T
Formula
C19 H23 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

S7T in 2 structures; the first of them:

  • 7AXR · Crystal structure of BRD4(1) bound to the dual BET-HDAC inhibitor LSH24 · S7T A201 · binds ASN130, PHE133, THR134, TYR137, LYS141, PRO142, GLY143, VAL147 and 5 more
  • 7AXR · Crystal structure of BRD4(1) bound to the dual bet-hdac inhibitor LSH24 · S7T A201 · binds ASN130, PHE133, THR134, TYR137, LYS141, PRO142, GLY143, VAL147 and 5 more

Residues it binds most

LEU 4, PHE 4, TYR 4, ASN 4, GLU 2, LYS 4, PRO 4, VAL 4, ASP 2, CYS 2 (residue and the binding sites it lines).

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