Prediction : sodium-gold1-2-sulfido-1h-benzimidazole-4-carboxylate - albumin

 Predict more albumin - ligand interactions now!

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 = 192.210 
logP = 1.277 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 3 


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 acid0.357
Diiodosalicylic acid0.298
Iodipamide0.288
Indomethacin0.268
Compound 20.255
Compound 10.248
Azapropazone0.221
Dansyl-L-asparagine0.214
L-Thyroxine0.163
CMPF0.147
Phenylbutazone0.146
R-Warfarin0.117
Site 2_IIIA
Diflunisal0.274
(S)-Ibuprofen0.256
Dansyl-L-norvaline0.241
Dansyl-L-sarcosine0.229
Indoxyl sulphate0.198
Propofol0.184
L-Thyroxine0.163
Diazepam0.155
Site 3_IB
Azapropazone0.236
Compound 30.125
Bilirubin0.114
Fusidic acid0.102

Latest Predictions

Chemical structure