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Ligand · JAC

JAC · 1-({4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]phenyl}methyl)-2-pyrrolidinone

JAC, 1-({4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]phenyl}methyl)-2-pyrrolidinone (C18 H18 F3 N3 O2, 365.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
JAC
Formula
C18 H18 F3 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JAC in 2 structures; the first of them:

  • 2XXI · Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3… · JAC A1302 · binds LYS104, PRO105, PHE106, MET107, SER108, SER217, LYS218, GLY219 and 13 more
  • 2XXI · Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-DIHYDROPYRANO(4,3… · JAC A1302 · binds LYS104, PRO105, PHE106, MET107, SER108, SER217, LYS218, GLY219 and 13 more

Residues it binds most

SER 4, LEU 4, LYS 4, GLY 4, MET 4, PHE 4, PRO 4, ILE 2 (residue and the binding sites it lines).

Found with

  • GLU · Glutamic acid
  • ZN · Zinc ion
  • SO4 · Sulfate ion

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