Prediction : n-dicyclopropylmethyl-4-keto-chromene-2-carboxamide - 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 = 283.350 
logP = 2.495 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 1.000 
number of carboxylic acids (aliphatic) = 0 
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
Compound 20.351
Compound 10.320
R-Warfarin0.296
Iodipamide0.281
Phenylbutazone0.227
Indomethacin0.205
CMPF0.186
Salicylic acid0.182
Diiodosalicylic acid0.171
L-Thyroxine0.163
Dansyl-L-asparagine0.153
Azapropazone0.153
Site 2_IIIA
Diflunisal0.164
L-Thyroxine0.163
(S)-Ibuprofen0.157
Dansyl-L-norvaline0.155
Diazepam0.146
Propofol0.136
Dansyl-L-sarcosine0.112
Indoxyl sulphate0.073
Site 3_IB
Azapropazone0.163
Fusidic acid0.138
Bilirubin0.126
Compound 30.114

Latest Predictions

Chemical structure