Prediction : 1-4-chloro-3-methoxy-phenylsulfonyl-4-methyl-imidazole - 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 = 286.760 
logP = 2.005 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 3 


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
Indomethacin0.223
Dansyl-L-asparagine0.205
Azapropazone0.145
Salicylic acid0.145
L-Thyroxine0.145
Diiodosalicylic acid0.130
Compound 10.125
Compound 20.122
Iodipamide0.112
CMPF0.097
Phenylbutazone0.089
R-Warfarin0.077
Site 2_IIIA
Dansyl-L-sarcosine0.215
Dansyl-L-norvaline0.209
L-Thyroxine0.145
Diazepam0.138
Indoxyl sulphate0.137
Diflunisal0.135
Propofol0.132
(S)-Ibuprofen0.115
Site 3_IB
Compound 30.152
Azapropazone0.149
Bilirubin0.135
Fusidic acid0.066

Latest Predictions

Chemical structure