Prediction : n-4-2-furfuryl-2r-tetrahydrofuran-2-ylmethylsulfamoylphenylacetamide - 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 = 378.490 
logP = 1.929 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 2 


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-asparagine0.434
Phenylbutazone0.271
Compound 20.270
Iodipamide0.267
Compound 10.249
Indomethacin0.204
Azapropazone0.197
CMPF0.162
R-Warfarin0.158
L-Thyroxine0.150
Diiodosalicylic acid0.103
Salicylic acid0.098
Site 2_IIIA
Dansyl-L-norvaline0.466
Dansyl-L-sarcosine0.396
Diazepam0.198
L-Thyroxine0.150
(S)-Ibuprofen0.129
Diflunisal0.113
Indoxyl sulphate0.110
Propofol0.088
Site 3_IB
Compound 30.209
Azapropazone0.206
Bilirubin0.150
Fusidic acid0.131

Latest Predictions

Chemical structure