Prediction : 2-phenoxymethyl-n-phenyl-benzamide - 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 = 303.380 
logP = 4.182 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 4 


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
Iodipamide0.341
Salicylic acid0.333
Indomethacin0.287
Diiodosalicylic acid0.287
Compound 20.268
Compound 10.262
Phenylbutazone0.223
L-Thyroxine0.206
Azapropazone0.192
Dansyl-L-asparagine0.168
CMPF0.135
R-Warfarin0.130
Site 2_IIIA
Diflunisal0.268
Diazepam0.227
Propofol0.207
L-Thyroxine0.206
Dansyl-L-sarcosine0.192
(S)-Ibuprofen0.178
Dansyl-L-norvaline0.170
Indoxyl sulphate0.156
Site 3_IB
Azapropazone0.192
Compound 30.128
Bilirubin0.110
Fusidic acid0.102

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Chemical structure