Prediction : 2-hydroxy-5-methoxy-benzoic-acid-2-keto-2-2-methyl-6-nitro-anilinoethyl-ester - 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 = 360.350 
logP = 2.632 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
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
Iodipamide0.297
Salicylic acid0.266
Diiodosalicylic acid0.248
Indomethacin0.237
Azapropazone0.220
L-Thyroxine0.199
Compound 10.194
Compound 20.192
Phenylbutazone0.192
Dansyl-L-asparagine0.150
R-Warfarin0.120
CMPF0.112
Site 2_IIIA
Diflunisal0.245
Diazepam0.229
L-Thyroxine0.199
Dansyl-L-sarcosine0.174
Propofol0.160
Dansyl-L-norvaline0.151
Indoxyl sulphate0.139
(S)-Ibuprofen0.135
Site 3_IB
Azapropazone0.215
Bilirubin0.138
Compound 30.137
Fusidic acid0.085

Latest Predictions

Chemical structure