Prediction : 3r-5-bromo-3-hydroxy-3-2-keto-2-2-methoxyphenylethyl-1-propyl-oxindole - 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 = 418.310 
logP = 3.445 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 5 


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 10.388
Compound 20.368
Iodipamide0.330
Indomethacin0.327
L-Thyroxine0.288
Phenylbutazone0.253
Azapropazone0.250
R-Warfarin0.202
Salicylic acid0.196
CMPF0.196
Diiodosalicylic acid0.194
Dansyl-L-asparagine0.176
Site 2_IIIA
L-Thyroxine0.288
Diazepam0.239
Diflunisal0.208
(S)-Ibuprofen0.193
Dansyl-L-norvaline0.178
Propofol0.165
Dansyl-L-sarcosine0.146
Indoxyl sulphate0.111
Site 3_IB
Azapropazone0.261
Bilirubin0.189
Compound 30.148
Fusidic acid0.109

Latest Predictions

Chemical structure