New Human GPCR modeling and virtual screening database

New Human GPCR modeling and virtual screening database is constructed using FINDSITEX: FINDSITEX is applied to 998 identified human GPCRs. First, TASSERVMT-lite provides updates of all human GPCR structures previously modeled in our lab. We then use these structures and a new function similarity detection algorithm to screen all human GPCRs against the ZINC8 non-redundant (TC<0.7) ligand set combined with ligands from the GLIDA database (a total of 88,949 compounds). It also has off-target predictions. This database can be searched using text input,FASTA formatted sequence input.

Reference: H. Zhou and J. Skolnick: FINDSITEX: A structure based, small molecule virtual screening approach with application to all identified human GPCRs. Molecular Pharmaceutics, 2012, 9(6):1775-1784 PDF



NOTE:

  • This service is freely available to academic users and not-for-profit institutions.
  • Commercial users may request an evaluation copy from skolnick@gatech.edu .
  • Commercial users may license the new Human GPCR modeling and virtual screening database after completing the license agreement and sending it to skolnick@gatech.edu . Download the license agreement.



All 998 Human GPCR Sequences



Browse all 148 yeast GPCR predictions here



All 148 yeast GPCR Sequences



Get the virtual screening benchmark result for the 168 Human GPCRs here


This server will retrieve data mostly close to your input sequence or ID.
For sequence input, the first BLAST hit will be retrieved; for ID input, only exact match will be retrieved.

Sequence ID (UniProt) : or
INPUT sequence (FASTA format or cut and paste the sequence, >30 AA & <1000 AA, one sequence/submission):