Prediction : n-24-dimethoxybenzyl-1-ethyl-4-keto-7-methyl-18-naphthyridine-3-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 = 381.470 
logP = 0.402 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = 0.000 
number of carboxylic acids (aliphatic) = 0 
number of substituted benzene C(sp2) = 3 


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
Indomethacin0.390
Compound 20.372
Compound 10.345
Azapropazone0.319
Iodipamide0.272
Salicylic acid0.220
Diiodosalicylic acid0.208
L-Thyroxine0.196
Phenylbutazone0.183
R-Warfarin0.160
Dansyl-L-asparagine0.156
CMPF0.115
Site 2_IIIA
Diflunisal0.215
L-Thyroxine0.196
Diazepam0.168
Indoxyl sulphate0.166
Dansyl-L-norvaline0.163
Dansyl-L-sarcosine0.153
Propofol0.144
(S)-Ibuprofen0.136
Site 3_IB
Azapropazone0.309
Compound 30.178
Bilirubin0.177
Fusidic acid0.125

Latest Predictions

Chemical structure