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Drug Design Data Resource Grand Challenge 3 Dataset: ABL1
ABL1 is a protein tyrosine kinase that is implicated in various cancers, including in chronic myelogenous leukemia (CML), through fusion of the ABL gene, in chromosome 9, and the BCR gene, in chromosome 22. This subchallenge tests the ability of computational methods to predict the effect of target mutations on small molecule binding affinities. The dataset consists of Kd values for two compounds versus the wild type and five mutants of the nonphosphorylated ABL1 protein, ABL1(F317I), ABL1(F317L), ABL1(H396P), ABL1(Q252H), and ABL1(T315I).
Data Files
| File Name | Description | Date Added | Download |
|---|---|---|---|
| GC3_ABL1.zip | GC3_ABL1 Dataset from Grand Challenge 3 | 03:46pm February 6, 2020 | Download |
Document Files
| File Name | Description | Date Added | Download |
|---|---|---|---|
| No Document Files |
About
Welcome to the Drug Design Data Resource Community. D3R is funded in part by NIH grant 1U01GM111528 from the National Institute of General Medical Sciences
