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Ligand · 2IY

2IY · 3-(4-chlorophenyl)-5-methylsulfanyl-1~{H}-pyrazole-4-carbonitrile

2IY, 3-(4-chlorophenyl)-5-methylsulfanyl-1~{H}-pyrazole-4-carbonitrile (C11 H8 Cl N3 S, 249.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
2IY
Formula
C11 H8 Cl N3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2IY in 2 structures; the first of them:

  • 7OWV · Crystal structure of IpgC in complex with a follow-up compound based on J20 · 2IY B201 · binds LYS101, ASN102, TYR93, ALA94, PHE97, VAL107, THR110, GLN114 and 4 more
  • 7OWV · Crystal structure of ipgc in complex with a follow-up compound based on J20 · 2IY B201 · binds LYS101, ASN102, TYR93, ALA94, PHE97, VAL107, THR110, GLN114 and 4 more

Residues it binds most

LYS 2, ALA 2, ASN 2, CYS 2, GLN 2, GLU 2, LEU 2, PHE 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • PGE · Triethylene glycol

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