Prediction : 12345-pentabromo-6-2346-tetrabromophenylbenzene - 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 2 (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 = 864.230 
logP = 10.084 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 11 


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
Salicylic acid0.194
Diiodosalicylic acid0.158
L-Thyroxine0.151
Iodipamide0.129
Indomethacin0.102
Azapropazone0.099
R-Warfarin0.093
Compound 20.089
Compound 10.087
Phenylbutazone0.085
Dansyl-L-asparagine0.082
CMPF0.071
Site 2_IIIA
Diflunisal0.266
Propofol0.211
(S)-Ibuprofen0.203
L-Thyroxine0.151
Dansyl-L-sarcosine0.097
Diazepam0.091
Dansyl-L-norvaline0.088
Indoxyl sulphate0.060
Site 3_IB
Azapropazone0.096
Fusidic acid0.069
Compound 30.056
Bilirubin0.053

Latest Predictions

Chemical structure