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Ligand · YY2

YY2 · 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide

YY2, 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide (C14 H21 Cl N2 O3, 300.8 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…

Component
YY2
Formula
C14 H21 Cl N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

YY2 in 2 structures; the first of them:

  • 4WRH · AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-me… · YY2 A402 · binds LEU54, TRP86, SER118, MET120, LEU122, SER129, VAL137, ASN167 and 7 more
  • 4WRH · AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro… · YY2 A402 · binds LEU54, TRP86, SER118, MET120, LEU122, SER129, VAL137, ASN167 and 7 more

Residues it binds most

TYR 2, LEU 2, PHE 2, SER 2, TRP 2, ASN 2, MET 2, PRO 2, VAL 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • YY1 · 5-methyl-4H-1,2,4-triazole-3-thiol
  • EDO · 1,2-ethanediol

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