Where can I download binding constants?
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4.6 years ago

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: https://www.bindingdb.org/bind/index.jsp

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

gene ligand binding • 1.2k views
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You have already found a nice site.

https://www.bindingdb.org/bind/index.jsp

You are right, ChemAxon seems stop working.

See this article:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4702904/

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:

https://omictools.com/drug-targets-category

or here:

http://www.drugbank.ca/

or here:

http://dgidb.genome.wustl.edu/getting_started

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6 months ago
casey ▴ 20

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: https://model.modelforest.ai/binding-model

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