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Ligand · C69

C69 · (2S)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one

C69, (2S)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one (C17 H16 Br N O3 S, 394.3 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…

Component
C69
Formula
C17 H16 Br N O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

C69 in 4 structures; the first of them:

  • 3UKU · Structure of Arp2/3 complex with bound inhibitor CK-869 · C69 A501 · binds CYS12, PRO77, ILE78, ARG79, GLU84, TRP86, MET89, MET93 and 10 more
  • 3ULE · Structure of Bos taurus Arp2/3 complex with bound inhibitor CK-869 and ATP · C69 A1002 · binds CYS12, PRO77, ILE78, GLU84, TRP86, MET89, MET93, LEU112 and 8 more
  • 3UKU · Structure of ARP2/3 complex with bound inhibitor ck-869 · C69 A501 · binds CYS12, PRO77, ILE78, ARG79, GLU84, TRP86, MET89, MET93 and 10 more
  • 3ULE · Structure of bos taurus ARP2/3 complex with bound inhibitor ck-869 and ATP · C69 A1002 · binds CYS12, PRO77, ILE78, GLU84, TRP86, MET89, MET93, LEU112 and 8 more

Residues it binds most

ILE 4, ASN 4, GLU 4, MET 4, PRO 4, THR 4, ARG 2, CYS 4, LEU 4, TRP 4 (residue and the binding sites it lines).

Found with

  • ATP · Adenosine-5'-triphosphate
  • CA · Calcium ion

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