Prediction : 3-anilino-155-triphenyl-penta-24-dien-1-one - 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 = 401.530 
logP = 6.738 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
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
Iodipamide0.255
Phenylbutazone0.187
Compound 20.182
Compound 10.179
Indomethacin0.174
Azapropazone0.169
Salicylic acid0.161
Dansyl-L-asparagine0.160
R-Warfarin0.152
Diiodosalicylic acid0.143
CMPF0.137
L-Thyroxine0.134
Site 2_IIIA
Diazepam0.236
(S)-Ibuprofen0.177
Dansyl-L-sarcosine0.174
Dansyl-L-norvaline0.170
Propofol0.168
Diflunisal0.147
L-Thyroxine0.134
Indoxyl sulphate0.110
Site 3_IB
Bilirubin0.179
Azapropazone0.152
Compound 30.122
Fusidic acid0.115

Latest Predictions

Chemical structure