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Ligand · V9E

V9E · 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine

V9E, 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (C13 H12 Cl N5 S, 305.8 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…

Component
V9E
Formula
C13 H12 Cl N5 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

V9E in 1 structure; the first of them:

  • 8CO7 · Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor… · V9E A501 · binds PHE45, LEU94, LYS95, PHE96, ALA97, ALA100, LEU101, LEU102 and 9 more

Residues it binds most

PHE 1, LEU 1, VAL 1, ALA 1, ARG 1, LYS 1, MET 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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