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Ligand · 8CK

8CK · N-(4-fluorophenyl)-4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine

8CK, N-(4-fluorophenyl)-4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine (C22 H23 F N4, 362.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
8CK
Formula
C22 H23 F N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

8CK in 2 structures; the first of them:

  • 7W4A · Cryo-EM structure of the gastric proton pump complexed with revaprazan · 8CK A1101 · binds ILE119, CYS120, ALA123, GLN127, ASP137, ASN138, LEU141, VAL331 and 11 more
  • 7W4A · Cryo-EM structure of the gastric proton pump complexed with revaprazan · 8CK A1101 · binds ALA123, ASP137, ASN138, LEU141, VAL331, MET334, ALA335, ALA339 and 5 more

Residues it binds most

ALA 2, LEU 2, CYS 2, ILE 2, VAL 2, ASN 2, ASP 2, GLU 2, MET 2, TYR 2 (residue and the binding sites it lines).

Found with

  • PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine
  • MG · Magnesium ion
  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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