Prediction : 2s-n-34-difluorophenyl-2-4-methyltosylaminophenoxypropionamide - 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 2 (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 = 460.540 
logP = 5.252 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 7 


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
Dansyl-L-asparagine0.361
Iodipamide0.265
Compound 10.245
Compound 20.244
Indomethacin0.241
L-Thyroxine0.233
Phenylbutazone0.232
Azapropazone0.182
Diiodosalicylic acid0.176
Salicylic acid0.168
R-Warfarin0.128
CMPF0.109
Site 2_IIIA
Dansyl-L-sarcosine0.391
Dansyl-L-norvaline0.374
L-Thyroxine0.233
Diflunisal0.209
Diazepam0.199
Propofol0.156
(S)-Ibuprofen0.139
Indoxyl sulphate0.128
Site 3_IB
Compound 30.206
Azapropazone0.187
Bilirubin0.150
Fusidic acid0.093

Latest Predictions

Chemical structure