Prediction : diphenylphosphorylmethyldiethylamine - 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 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 = 287.370 
logP = 3.320 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
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
Iodipamide0.112
Compound 10.109
Salicylic acid0.108
Phenylbutazone0.106
Compound 20.105
Dansyl-L-asparagine0.094
Diiodosalicylic acid0.091
Indomethacin0.084
L-Thyroxine0.083
Azapropazone0.061
R-Warfarin0.057
CMPF0.036
Site 2_IIIA
Dansyl-L-sarcosine0.120
Propofol0.116
Indoxyl sulphate0.107
Dansyl-L-norvaline0.101
Diazepam0.093
Diflunisal0.091
(S)-Ibuprofen0.090
L-Thyroxine0.083
Site 3_IB
Compound 30.066
Bilirubin0.065
Azapropazone0.063
Fusidic acid0.026

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Chemical structure