Prediction : 0030186381232c165e623eccebf74e64 - 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 = 393.49 
logP = 5.664 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0 
number of carboxylic acids (aliphatic) = 1 
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
Compound 1 0.285
Compound 2 0.272
Indomethacin 0.270
L-Thyroxine 0.269
Azapropazone 0.230
R-Warfarin 0.187
Salicylic acid 0.176
Diiodosalicylic acid 0.175
CMPF 0.169
Iodipamide 0.167
Phenylbutazone 0.152
Dansyl-L-asparagine 0.149
Site 2_IIIA
L-Thyroxine 0.269
Diflunisal 0.220
(S)-Ibuprofen 0.196
Diazepam 0.186
Propofol 0.166
Indoxyl sulphate 0.164
Dansyl-L-norvaline 0.161
Dansyl-L-sarcosine 0.139
Site 3_IB
Azapropazone 0.241
Bilirubin 0.176
Compound 3 0.173
Fusidic acid 0.112

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Chemical structure