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Ligand · 9V3

9V3 · 2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

9V3, 2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (C19 H25 N3 O S, 343.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
9V3
Formula
C19 H25 N3 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9V3 in 2 structures; the first of them:

  • 7Q6Z · Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to… · 9V3 A603 · binds VAL293, PHE296, TYR300, PHE304, VAL325, MET334, TRP335, PHE338 and 11 more
  • 7Q6Z · Structure of hedgehog acyltransferase (hhat) in complex with megabody 177 bound to… · 9V3 A603 · binds VAL293, PHE296, TYR300, PHE304, VAL325, MET334, TRP335, PHE338 and 9 more

Residues it binds most

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

Found with

  • CLR · Cholesterol
  • HEM · Protoporphyrin IX containing Fe
  • PLM · Palmitic acid

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