Does anybody know how to link the ligand names in the BRENDA flatfile to their corresponding InChlKey? Maybe you could somehow connect it to CHEBI ID?

Looking to do this programmatically via downloaded databases ideally, doing so via server would be too slow.

Here is the flatfile location:

www.brenda-enzymes.org/download_brenda_without_registration.php

It has to be possible, because BRENDA appears to have this data accessible via their web interface...there must be some internal ID mapping not present in the flatfile explicitly.

Example ligand with InChlKey:

www.brenda-enzymes.org/ligand.php?ligand_name=Isopropanol

Any advice would be much appreciated.



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