ChEMBL Resources

Resources:
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SureChEMBL
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ChEMBL-Malaria
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The SARfaris: GPCR, Kinase, ADME
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UniChem
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DrugEBIlity
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ECBD

Wednesday, 25 May 2011

How do I get a reasonably complete, reasonably accurate list of PPIs?



A recurring thing we are interested in is classifying the natural ligand/partner of a protein. Having a classification of the 'natural' ligand partner for every human protein would be really useful, and would allow us to ask and more importantly answer quite complex questions in ChEMBL like - 'show me all small molecules that modulate a protein-protein interaction (PPI) at better than 100 nM potency?'.

I've had a bit of a dig around the web, but there isn't anything that does exactly what I need (or I'm not smart enough to find it), but I'm sure it must exist, so in the comments section, please post resources and ideas.....

2 comments:

DGA said...

'show me all small molecules that modulate a protein-protein interaction (PPI) at better than 100 nM potency'

hope this helps: TIMBAL holds small molecules disrupting protein-protein interactions

http://www-cryst.bioc.cam.ac.uk/databases/timbal

David, Biomol Informatics

jpo said...

Thx!