Prediction : 2-acetamido-n-2-ethylamino-2-keto-1-methyl-ethylpropionamide - albumin

 Predict more albumin - ligand interactions now!

Reference

When using this server please cite the following paper:

Zsila F, Bikadi Z, Malik D, Hari P, Pechan I, Berces A, Hazai E.

Evaluation of drug-human serum albumin binding interactions with support vector machine aided online automated docking.

Bioinformatics. 2011 May 18.



Prediction summary

SVM prediction results:


SVM : albumin prediction

Prediction result: Albumin ligand (prediction accuracy: 92.1%), binding site 1 (prediction accuracy: 80.0%)




Please note that binding site 3 prediction is not included in the built in SVM model.





Calculated physicochemical properties:

Molecular Weight = 229.320 
logP = -0.976 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 0 


Ligand Similarity:

In the following tables the similarities of the query compound to the original X-Ray compunds are presented. Similarity is calculated based on Tanimoto fingerprints. The value ranges from 0 to 1, with 1 being identical to the original X-Ray compound.

Site 1_IIA
Dansyl-L-asparagine0.151
Phenylbutazone0.124
Iodipamide0.120
L-Thyroxine0.120
Compound 20.118
Compound 10.115
Indomethacin0.109
Azapropazone0.092
Diiodosalicylic acid0.068
Salicylic acid0.067
R-Warfarin0.065
CMPF0.042
Site 2_IIIA
Dansyl-L-sarcosine0.157
Dansyl-L-norvaline0.153
Diazepam0.133
L-Thyroxine0.120
(S)-Ibuprofen0.081
Diflunisal0.071
Propofol0.054
Indoxyl sulphate0.021
Site 3_IB
Azapropazone0.095
Bilirubin0.088
Fusidic acid0.065
Compound 30.058

Latest Predictions

Chemical structure