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Ligand · C8N

C8N · [(3~{S})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium

C8N, [(3~{S})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium (C21 H21 N2 O3 S +1, 381.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
C8N
Formula
C21 H21 N2 O3 S +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

C8N in 2 structures; the first of them:

  • 6EV0 · The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a… · C8N B302 · binds LEU60, GLN61, TYR126, SER127, LYS130, PHE131, PHE134, SER142 and 6 more
  • 6EV0 · The transcriptional regulator prfa from listeria monocytogenes in complex with a… · C8N B302 · binds LEU60, GLN61, SER127, LYS130, PHE131, PHE134, SER142, SER127 and 2 more

Residues it binds most

PHE 2, SER 2, LYS 2, GLN 2, LEU 2, TYR 1 (residue and the binding sites it lines).

Found with

  • BYK · [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
  • IPA · Isopropyl alcohol

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