Prediction : 3-methyl-2-2-trifluoromethoxyphenylsulfonylaminobenzamide - 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 = 374.370 
logP = 4.398 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 5 


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-asparagine0.299
Indomethacin0.249
Compound 10.221
Compound 20.219
Salicylic acid0.214
Diiodosalicylic acid0.209
L-Thyroxine0.203
Iodipamide0.192
Azapropazone0.170
R-Warfarin0.155
Phenylbutazone0.140
CMPF0.103
Site 2_IIIA
Dansyl-L-sarcosine0.341
Dansyl-L-norvaline0.308
Diflunisal0.226
L-Thyroxine0.203
Propofol0.161
Indoxyl sulphate0.160
Diazepam0.138
(S)-Ibuprofen0.124
Site 3_IB
Compound 30.189
Azapropazone0.164
Bilirubin0.138
Fusidic acid0.113

Latest Predictions

Chemical structure