GL1X · GenesisL1 explorer

Ligand · T1X

T1X · 7-fluoro-N-[(2S)-1-({(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

T1X, 7-fluoro-N-[(2S)-1-({(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (C30 H33 F2 N5 O5 S, 613.7 g/mol), in the MolNFT…

Component
T1X
Formula
C30 H33 F2 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

T1X in 2 structures; the first of them:

  • 8DOY · Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198 · T1X A405 · binds THR25, LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143 and 14 more
  • 8DOY · Crystal structure of SARS-cov-2 main protease in complex with an inhibitor tkb-198 · T1X A405 · binds THR25, LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143 and 14 more

Residues it binds most

HIS 4, LEU 4, MET 4, THR 4, CYS 4, ALA 4, ARG 4, ASN 4, ASP 4, GLN 4 (residue and the binding sites it lines).

Found with

  • 1PE · Pentaethylene glycol
  • DMS · Dimethyl sulfoxide
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PG0 · 2-(2-methoxyethoxy)ethanol

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