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Ligand · V1B

V1B · 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione

V1B, 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione (C21 H17 N3 O2, 343.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
V1B
Formula
C21 H17 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

V1B in 2 structures; the first of them:

  • 7QBB · Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18 · V1B A402 · binds HIS41, CYS44, MET49, PRO52, TYR54, PHE140, LEU141, ASN142 and 11 more
  • 7QBB · Crystal structure of SARS-cov-2 main protease (NSP5) in complex with compound 18 · V1B A402 · binds HIS41, CYS44, MET49, PRO52, TYR54, PHE140, LEU141, ASN142 and 11 more

Residues it binds most

HIS 2, CYS 2, MET 2, ARG 2, ASN 2, ASP 2, GLN 2, GLU 2, GLY 2, LEU 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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