Question: Where can I download binding constants?
gravatar for entheologist33
4.2 years ago by
entheologist33100 wrote:

I need to obtain drug-protein interaction data for me website. For example, for aspirin I need to find how strongly it binds to COX1 and whatever other enzymes and proteins it binds to. Or for the MAOI-A gene, I need to get the binding constants for various MAO inhibitors and inducers. I found this site:

but their API isn't working so I don't know if I can use it.

ligand binding gene • 1.1k views
ADD COMMENTlink modified 6 weeks ago by casey20 • written 4.2 years ago by entheologist33100

You have already found a nice site.

You are right, ChemAxon seems stop working.

See this article:

It's a very recent paper,

STITCH 5: augmenting protein–chemical interaction networks with tissue and affinity data

There many of such sites mentioned just below:

or here:

or here:

ADD REPLYlink modified 4.2 years ago • written 4.2 years ago by natasha.sernova3.8k
gravatar for casey
6 weeks ago by
casey20 wrote:

I know it's been a while since this was posted, but just in case this is a helpful tool for a drug-protein binding-affinity prediction that takes in a SMILE sequence and an Amino Acid sequence and returns an integer that represents the binding-affinity. Here is the link to the model overview:

ADD COMMENTlink written 6 weeks ago by casey20
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