Insilico design ligand

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    • #8813
      ss_kalve
      Participant

      I’ve Insilico designed ligand which will bind and inhibit HIV integrase protein.I’ve its chemical structure.Can I get to know which compound is this?Is there any software for that?

    • #79643
      mith
      Participant

      Yes, if you can draw the structure using smiles code you can do a search on pubmed.

    • #79651
      ss_kalve
      Participant

      Thank u but can u plz tell me abt smiles code.I’ve structure on spdbv.

    • #79657
      mith
      Participant

      http://pubchem.ncbi.nlm.nih.gov/search/search.cgi

      So they have a sketch function where you can draw the structure. It’s basically a name convention for structures. There’s probably some tutorials online.

    • #79684
      ss_kalve
      Participant

      Thank u.I’ll try it.

    • #79700
      blcr11
      Participant

      You might show it to your friendly local organic chemist who maybe could give you a name for the compoud. If it isn’t too complicated, the free version of Chemsketch (from ACD) has a structure-to-name function as well as a structure-smiles interconverter if you really need the smiles string. The commercial version of ISISdraw has the same functions, but I’m not sure about the demo version. Ditto for Chemdraw.

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