Ligand · XTP
XTP · benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
XTP, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate (C21 H29 N3 O5, 403.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…
- Component
- XTP
- Formula
- C21 H29 N3 O5
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
XTP in 4 structures; the first of them:
- 7LCS · Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies &… · XTP A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 9 more
- 7TIA · Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14 · XTP A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 8 more
- 7LCS · Improved feline drugs as SARS-cov-2 mpro inhibitors: structure- activity studies &… · XTP A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 9 more
- 7TIA · Crystal structure of SARS-cov-2 3CL in complex with inhibitor NK01-14 · XTP A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 8 more
Residues it binds most
HIS 4, MET 4, ARG 4, ASN 4, ASP 4, CYS 4, GLN 4, GLU 4, GLY 4, LEU 4 (residue and the binding sites it lines).
Found with
- SCN · Thiocyanate ion
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