Prediction : 5-methylol-3-p-tolyloxazolidin-2-one - 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: Non albumin ligand (prediction accuracy: 92.1%)




Please note that binding site 3 prediction is not included in the built in SVM model.





Calculated physicochemical properties:

Molecular Weight = 207.250 
logP = 1.594 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
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
Iodipamide0.354
Phenylbutazone0.261
Compound 20.240
Dansyl-L-asparagine0.227
Indomethacin0.223
Compound 10.220
Azapropazone0.205
Salicylic acid0.186
Diiodosalicylic acid0.173
L-Thyroxine0.173
CMPF0.114
R-Warfarin0.090
Site 2_IIIA
Diazepam0.256
Dansyl-L-sarcosine0.242
Dansyl-L-norvaline0.233
Diflunisal0.195
(S)-Ibuprofen0.180
L-Thyroxine0.173
Propofol0.158
Indoxyl sulphate0.114
Site 3_IB
Azapropazone0.205
Bilirubin0.132
Compound 30.112
Fusidic acid0.095

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Chemical structure