Prediction : z-3-4-fluoroanilino-1-4-methoxyphenylbut-2-en-1-one - 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 = 285.340 
logP = 3.746 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 4 


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
Iodipamide0.277
Indomethacin0.269
L-Thyroxine0.267
Salicylic acid0.242
Diiodosalicylic acid0.234
Compound 20.229
Compound 10.224
Azapropazone0.209
Phenylbutazone0.204
R-Warfarin0.173
Dansyl-L-asparagine0.160
CMPF0.150
Site 2_IIIA
Diflunisal0.284
L-Thyroxine0.267
Propofol0.255
Diazepam0.212
(S)-Ibuprofen0.200
Dansyl-L-sarcosine0.182
Dansyl-L-norvaline0.170
Indoxyl sulphate0.140
Site 3_IB
Azapropazone0.191
Fusidic acid0.137
Bilirubin0.128
Compound 30.117

Latest Predictions

Chemical structure