Prediction : chromic-sodium-1-4-dioxidoamino-6-keto-cyclohexa-24-dien-1-ylidenehydrazononaphthalen-2-one-1-4-nitro-2-oxido-phenylazonaphthalen-2-olate - 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 2 (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 = 307.280 
logP = 3.112 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 7 


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
Salicylic acid0.156
Diiodosalicylic acid0.144
Azapropazone0.138
Indomethacin0.126
Dansyl-L-asparagine0.122
L-Thyroxine0.114
Phenylbutazone0.109
Iodipamide0.106
Compound 20.101
R-Warfarin0.099
Compound 10.098
CMPF0.034
Site 2_IIIA
Indoxyl sulphate0.198
Propofol0.167
Dansyl-L-sarcosine0.143
Dansyl-L-norvaline0.131
Diflunisal0.117
L-Thyroxine0.114
Diazepam0.096
(S)-Ibuprofen0.082
Site 3_IB
Azapropazone0.136
Compound 30.052
Bilirubin0.047
Fusidic acid0.042

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Chemical structure