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Ligand · MSD

MSD · 1-[2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)-cyclopropyl]-3-(5-cyano-pyridin-2-yl)-thiourea

MSD, 1-[2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)-cyclopropyl]-3-(5-cyano-pyridin-2-yl)-thiourea (C19 H18 N4 O3 S, 382.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
MSD
Formula
C19 H18 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

MSD in 2 structures; the first of them:

  • 1IKY · HIV-1 Reverse Transcriptase in Complex with the Inhibitor MSC194 · MSD A2000 · binds PRO95, LEU100, LYS101, ASN103, VAL106, VAL179, TYR181, TYR188 and 10 more
  • 1IKY · HIV-1 reverse transcriptase in complex with the inhibitor MSC194 · MSD A2000 · binds PRO95, LEU100, LYS101, ASN103, VAL106, VAL179, TYR181, TYR188 and 10 more

Residues it binds most

PRO 2, TYR 2, VAL 2, LEU 2, ASN 2, GLU 2, GLY 2, HIS 2, LYS 2, PHE 2 (residue and the binding sites it lines).

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