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Ligand · OI4

OI4 · (4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

OI4, (4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide (C16 H15 Cl N2 O2, 302.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within…

Component
OI4
Formula
C16 H15 Cl N2 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

OI4 in 2 structures; the first of them:

  • 7GFQ · Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID… · OI4 A404 · binds HIS41, MET49, PHE140, LEU141, ASN142, SER144, CYS145, HIS163 and 7 more
  • 7GIY · Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID… · OI4 A404 · binds HIS41, PHE140, LEU141, ASN142, SER144, CYS145, HIS163, HIS164 and 6 more

Residues it binds most

HIS 3, MET 3, ARG 3, ASN 3, ASP 3, CYS 3, GLN 3, GLU 3, LEU 3, PHE 3 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • CL · Chloride ion

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