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Ligand · KWD

KWD · 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide

KWD, 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide (C12 H7 Cl2 N3 O S, 312.2 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
KWD
Formula
C12 H7 Cl2 N3 O S
Class
ligand
Structures
1
PDB entries
1

Binding sites

KWD in 1 structure; the first of them:

  • 6NPE · C-abl kinase domain with the ACTIVATOR(CMPD6), 2-cyano-N-(4-(3,4… · KWD A604 · binds ARG351, ALA356, LEU359, LEU360, ALA363, LEU448, ILE451, ALA452 and 6 more

Residues it binds most

ALA 2, LEU 2, GLU 2, GLY 2, ILE 2, PHE 2, PRO 2, TYR 2, VAL 2, ARG 1 (residue and the binding sites it lines).

Found with

  • STI · 4-(4-methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
  • SO4 · Sulfate ion
  • 2PE · Nonaethylene glycol

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