Prediction : 2-phenyl-5-124-triazol-4-yl-124-triazol-3-ylamine - 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 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 = 227.260 
logP = 0.835 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 1 


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
Azapropazone0.250
Indomethacin0.197
Iodipamide0.179
Salicylic acid0.175
Compound 10.175
Compound 20.159
Diiodosalicylic acid0.153
Dansyl-L-asparagine0.147
Phenylbutazone0.143
L-Thyroxine0.095
CMPF0.094
R-Warfarin0.065
Site 2_IIIA
Indoxyl sulphate0.217
Dansyl-L-norvaline0.148
(S)-Ibuprofen0.147
Dansyl-L-sarcosine0.142
Diflunisal0.138
Diazepam0.134
Propofol0.101
L-Thyroxine0.095
Site 3_IB
Azapropazone0.258
Compound 30.109
Bilirubin0.088
Fusidic acid0.080

Latest Predictions

Chemical structure