Prediction : 0cbf481fdeec6d4bc449abdc12444e5f - 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

Not solvable.




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





Calculated physicochemical properties:



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
L-Thyroxine 0.297
Indomethacin 0.238
Azapropazone 0.237
Diiodosalicylic acid 0.222
Salicylic acid 0.217
Compound 1 0.211
Compound 2 0.209
Iodipamide 0.173
Dansyl-L-asparagine 0.145
R-Warfarin 0.144
CMPF 0.142
Phenylbutazone 0.141
Site 2_IIIA
L-Thyroxine 0.297
Diflunisal 0.287
Propofol 0.239
(S)-Ibuprofen 0.202
Diazepam 0.171
Dansyl-L-norvaline 0.152
Indoxyl sulphate 0.147
Dansyl-L-sarcosine 0.140
Site 3_IB
Azapropazone 0.244
Compound 3 0.118
Bilirubin 0.103
Fusidic acid 0.087

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Chemical structure