Question: Is there any way to map ChEMBL compound IDs to KEGG Drug IDs?
1
gravatar for Misha
11 days ago by
Misha10
United States
Misha10 wrote:

Dear All,

I am looking for a way in which I can map or get the ChEMBL compound IDs to KEGG Drug IDs compounds.

For eg. Say the ChEMBl compound id is CHEMBL113, the corresponding KEGG Drug ID for this ChEMBL compound is D00528. Similarly, I have a list of many ChEMBl compound ids for which I have to find their corresponding KEGG Drug IDs. Any Suggestions?

Thanks.

mapping kegg drug id chembl • 65 views
ADD COMMENTlink modified 10 days ago by Wolf Ihlenfeldt70 • written 11 days ago by Misha10
1
gravatar for Wolf Ihlenfeldt
10 days ago by
Wolf Ihlenfeldt70 wrote:

Cactvs toolkit www.xemistry.com/academic free software for academic users only):

a) Python

pycactvs>Ens('CHEMBL113').E_KEGG_DRUG_ID
'D00528'

b) Tcl

cactvs>ens get CHEMBL113 E_KEGG_DRUG_ID
D00528
ADD COMMENTlink written 10 days ago by Wolf Ihlenfeldt70
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