Prediction : n-2-2s-2-acetamidopropanoylaminoethylbenzamide - 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 = 277.360 
logP = -0.119 
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
Compound 20.287
Salicylic acid0.279
Compound 10.279
Diiodosalicylic acid0.247
Iodipamide0.241
Indomethacin0.232
L-Thyroxine0.205
Dansyl-L-asparagine0.169
Azapropazone0.164
Phenylbutazone0.156
R-Warfarin0.141
CMPF0.104
Site 2_IIIA
Diflunisal0.242
(S)-Ibuprofen0.216
Propofol0.206
L-Thyroxine0.205
Diazepam0.199
Dansyl-L-sarcosine0.178
Dansyl-L-norvaline0.172
Indoxyl sulphate0.102
Site 3_IB
Azapropazone0.163
Bilirubin0.121
Fusidic acid0.109
Compound 30.086

Latest Predictions

Chemical structure