Prediction : 2-5-e-3-3-chloro-4-methyl-anilino-2-cyano-3-keto-prop-1-enyl-2-furylbenzoic-acid - 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 = 406.840 
logP = 4.882 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
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
Iodipamide0.284
Phenylbutazone0.242
CMPF0.228
Azapropazone0.191
Compound 20.189
Indomethacin0.188
Compound 10.186
Dansyl-L-asparagine0.185
Salicylic acid0.150
R-Warfarin0.146
Diiodosalicylic acid0.144
L-Thyroxine0.111
Site 2_IIIA
Diazepam0.252
Diflunisal0.191
Dansyl-L-norvaline0.176
Dansyl-L-sarcosine0.173
(S)-Ibuprofen0.121
L-Thyroxine0.111
Propofol0.094
Indoxyl sulphate0.077
Site 3_IB
Bilirubin0.193
Azapropazone0.182
Compound 30.178
Fusidic acid0.086

Latest Predictions

Chemical structure