Prediction : 4-2-4-fluorophenylsulfonylaminoethylbenzoic-acid-methyl-ester - 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 = 337.400 
logP = 2.901 
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
Dansyl-L-asparagine0.371
Salicylic acid0.255
Compound 20.250
Diiodosalicylic acid0.245
Compound 10.244
L-Thyroxine0.221
Indomethacin0.213
Iodipamide0.208
CMPF0.165
Azapropazone0.153
Phenylbutazone0.120
R-Warfarin0.118
Site 2_IIIA
Dansyl-L-norvaline0.398
Dansyl-L-sarcosine0.397
Diflunisal0.284
(S)-Ibuprofen0.235
L-Thyroxine0.221
Propofol0.192
Diazepam0.151
Indoxyl sulphate0.076
Site 3_IB
Compound 30.162
Azapropazone0.157
Fusidic acid0.129
Bilirubin0.122

Latest Predictions

Chemical structure