Prediction : n-4-4-ethylpiperazino-2-methyl-phenyl-4-phenoxy-benzamide - 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 = 415.580 
logP = 5.129 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 6 


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
Iodipamide0.344
Indomethacin0.267
Compound 20.263
Compound 10.257
L-Thyroxine0.256
Salicylic acid0.253
Diiodosalicylic acid0.220
Phenylbutazone0.218
Azapropazone0.201
Dansyl-L-asparagine0.157
R-Warfarin0.127
CMPF0.111
Site 2_IIIA
Diazepam0.257
L-Thyroxine0.256
Diflunisal0.218
Propofol0.188
Indoxyl sulphate0.180
Dansyl-L-sarcosine0.179
Dansyl-L-norvaline0.159
(S)-Ibuprofen0.140
Site 3_IB
Azapropazone0.201
Bilirubin0.123
Compound 30.119
Fusidic acid0.085

Latest Predictions

Chemical structure