Prediction : 4-1-benzyl-4-chloro-25-diketo-3-pyrrolin-3-ylamino-n-24-dichlorophenylbenzamide - 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 = 500.780 
logP = 4.967 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 6 


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 20.234
Compound 10.230
Iodipamide0.225
Indomethacin0.204
Phenylbutazone0.171
Dansyl-L-asparagine0.162
Azapropazone0.151
Salicylic acid0.132
Diiodosalicylic acid0.127
L-Thyroxine0.111
CMPF0.099
R-Warfarin0.091
Site 2_IIIA
Diazepam0.258
Dansyl-L-sarcosine0.172
Dansyl-L-norvaline0.157
Diflunisal0.145
L-Thyroxine0.111
Indoxyl sulphate0.109
(S)-Ibuprofen0.094
Propofol0.092
Site 3_IB
Bilirubin0.198
Compound 30.167
Azapropazone0.136
Fusidic acid0.095

Latest Predictions

Chemical structure