Prediction : 2-5-4-fluorophenyl-134-oxadiazol-2-ylmethylisoindoline-13-quinone - 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 = 323.300 
logP = 2.357 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 4 


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
Compound 20.316
Compound 10.303
Iodipamide0.244
Salicylic acid0.198
Indomethacin0.196
Diiodosalicylic acid0.196
Phenylbutazone0.185
Azapropazone0.174
R-Warfarin0.167
CMPF0.166
L-Thyroxine0.152
Dansyl-L-asparagine0.138
Site 2_IIIA
Diflunisal0.228
L-Thyroxine0.152
Diazepam0.139
(S)-Ibuprofen0.135
Dansyl-L-norvaline0.132
Propofol0.118
Dansyl-L-sarcosine0.114
Indoxyl sulphate0.099
Site 3_IB
Compound 30.171
Azapropazone0.164
Bilirubin0.151
Fusidic acid0.116

Latest Predictions

Chemical structure