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Molecular properties generated using the CDK
These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.✖
|Compound class||Natural product or derivative|
|International Nonproprietary Names|
|17-AAG | 17-allylamino-17-demethoxygeldanamycin | 17-N-allylamino-17-demethoxygeldanamycin | 17AAG|
|17-AAG inhibits the activity of hsp90. The compound is a derivative of the antibiotic geldanamycin.
As with other natural products, there is some ambiguity in the absolute stereochemistry annotated by different online resources. PubChem records an alternative isomer with a Z bond at position 12 which has CID 6505803.
|CAS Registry No.||75747-14-7|
|GtoPdb PubChem SID||223366084|
|Search Google for chemical match using the InChIKey||AYUNIORJHRXIBJ-HTLBVUBBSA-N|
|Search Google for chemicals with the same backbone||AYUNIORJHRXIBJ|
|Search PubMed clinical trials||tanespimycin|
|Search PubMed titles||tanespimycin|
|Search PubMed titles/abstracts||tanespimycin|
|Search UniChem for chemical match using the InChIKey||AYUNIORJHRXIBJ-HTLBVUBBSA-N|
|Search UniChem for chemicals with the same backbone||AYUNIORJHRXIBJ|
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Links are provided in return for sponsorship, used to fund improvements to this database. The sponsorship account is managed and audited by the University of Edinburgh, a charitable body registered in Scotland, SC005336. If you are interested in sponsoring the database, please contact us.✖
Cat. No. 1515