Prediction : n-phenyl-3-p-phenetyl-acrylamide - albumin

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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 = 267.350 
logP = 3.415 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 3 


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
Iodipamide0.299
Salicylic acid0.241
L-Thyroxine0.238
Phenylbutazone0.227
Indomethacin0.218
Diiodosalicylic acid0.208
Azapropazone0.200
Dansyl-L-asparagine0.194
Compound 20.185
Compound 10.181
R-Warfarin0.144
CMPF0.097
Site 2_IIIA
L-Thyroxine0.238
Propofol0.226
Diazepam0.223
Dansyl-L-sarcosine0.215
Diflunisal0.207
Dansyl-L-norvaline0.198
(S)-Ibuprofen0.168
Indoxyl sulphate0.148
Site 3_IB
Azapropazone0.188
Bilirubin0.138
Fusidic acid0.135
Compound 30.128

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Chemical structure