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Ligand · J7I

J7I · 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine

J7I, 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine (C29 H36 N8 O3 S2, 608.8 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
J7I
Formula
C29 H36 N8 O3 S2
Class
ligand
Structures
1
PDB entries
1

Binding sites

J7I in 1 structure; the first of them:

  • 7ZIB · Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0635 inhibitor · J7I A302 · binds ILE30, GLU53, VAL55, LEU82, MET85, TYR86, PRO89, PHE96 and 13 more

Residues it binds most

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

Found with

  • UDP · Uridine-5'-diphosphate
  • NA · Sodium ion

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