Prediction : cid-1559619 - 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: Non albumin ligand (prediction accuracy: 92.1%)




Please note that binding site 3 prediction is not included in the built in SVM model.





Calculated physicochemical properties:

Molecular Weight = 520.680 
logP = 5.018 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
number of carboxylic acids (aliphatic) = 1 
number of substituted benzene C(sp2) = 2 


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
Iodipamide0.340
Phenylbutazone0.338
Compound 20.331
Compound 10.310
Dansyl-L-asparagine0.232
Azapropazone0.200
Indomethacin0.174
L-Thyroxine0.157
CMPF0.120
Diiodosalicylic acid0.105
Salicylic acid0.099
R-Warfarin0.099
Site 2_IIIA
Dansyl-L-norvaline0.229
Dansyl-L-sarcosine0.181
Diazepam0.168
L-Thyroxine0.157
(S)-Ibuprofen0.122
Diflunisal0.104
Indoxyl sulphate0.100
Propofol0.086
Site 3_IB
Fusidic acid0.252
Bilirubin0.182
Azapropazone0.179
Compound 30.116

Latest Predictions

Chemical structure