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Ligand · T3B

T3B · 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide

T3B, 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide (C30 H31 N5 O5 S2, 605.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
T3B
Formula
C30 H31 N5 O5 S2
Class
ligand
Structures
2
PDB entries
2

Binding sites

T3B in 2 structures; the first of them:

  • 7B8W · Structure of LIMK1 kinase domain with allosteric inhibitor th-470 · T3B A701 · binds LEU345, VAL366, LYS368, GLU369, LEU370, MET388, LEU391, VAL396 and 17 more
  • 7QHG · Lim domain kinase 2 (LIMK2) in complex with th-470 · T3B A701 · binds LEU337, VAL358, LYS360, GLU361, MET380, LEU383, VAL388, LEU389 and 17 more

Residues it binds most

LEU 6, VAL 6, PHE 6, GLU 6, GLY 6, ILE 6, ALA 6, ARG 6, ASP 6, HIS 6 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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