Prediction : 2-2-chloroanilino-2-keto-ethyl-2-4-fluorophenyloxazol-4-ylmethyl-methyl-ammonium - 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 = 374.850 
logP = 2.314 
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
Compound 20.298
Compound 10.274
Iodipamide0.263
Phenylbutazone0.232
Indomethacin0.207
CMPF0.162
Azapropazone0.152
Diiodosalicylic acid0.137
Dansyl-L-asparagine0.135
Salicylic acid0.134
L-Thyroxine0.119
R-Warfarin0.113
Site 2_IIIA
Diazepam0.261
Diflunisal0.189
Dansyl-L-sarcosine0.156
Dansyl-L-norvaline0.141
L-Thyroxine0.119
Indoxyl sulphate0.110
(S)-Ibuprofen0.103
Propofol0.093
Site 3_IB
Bilirubin0.169
Compound 30.165
Azapropazone0.156
Fusidic acid0.079

Latest Predictions

Chemical structure