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Ligand · 9Y2

9Y2 · 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide

9Y2, 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide (C16 H17 F2 N3 O2 S, 353.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues…

Component
9Y2
Formula
C16 H17 F2 N3 O2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

9Y2 in 2 structures; the first of them:

  • 8A2P · Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by… · 9Y2 A1201 · binds ALA63, ILE66, SER67, VAL84, LEU85, LEU167, PHE168, MET177 and 8 more
  • 5OLV · Structure of the A2A-STAR2-BRIL562-LUAA47070 complex at 2.0A obtained from in meso… · 9Y2 A1201 · binds ALA63, ILE66, SER67, VAL84, LEU85, PHE168, MET177, TRP246 and 7 more

Residues it binds most

LEU 2, ILE 2, MET 2, ALA 2, ASN 2, HIS 2, PHE 2, SER 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • OLA · Oleic acid
  • NA · Sodium ion
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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