Ligand · I1W
I1W · (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide
I1W, (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide (C33 H48…
- Component
- I1W
- Formula
- C33 H48 N6 O5 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
I1W in 2 structures; the first of them:
- 7TDU · Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 · I1W A401 · binds THR25, LEU27, HIS41, CYS44, MET49, PHE140, LEU141, ASN142 and 14 more
- 7TDU · Joint X-RAY/NEUTRON structure of SARS-cov-2 main protease (3CL mpro) in complex with bbh-1 · I1W A401 · binds THR25, LEU27, HIS41, CYS44, MET49, PHE140, LEU141, ASN142 and 14 more
Residues it binds most
HIS 2, CYS 2, GLN 2, LEU 2, MET 2, THR 2, ARG 2, ASN 2, ASP 2, GLU 2 (residue and the binding sites it lines).
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