Prediction : n-2-hydroxy-5-nitro-benzyl-2-phthalimido-acetamide - 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%)

Submit experimental proof

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

Calculated physicochemical properties:

Molecular Weight	=	355.330
logP	=	1.346
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index	=	0.000
number of carboxylic acids (aliphatic)	=	0
number of substituted benzene C(sp2)	=	5

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 2	0.266
Compound 1	0.261
Indomethacin	0.257
Iodipamide	0.229
Salicylic acid	0.225
Diiodosalicylic acid	0.220
Azapropazone	0.213
Dansyl-L-asparagine	0.183
Phenylbutazone	0.173
L-Thyroxine	0.172
R-Warfarin	0.140
CMPF	0.088

Site 2_IIIA
Diflunisal	0.227
Dansyl-L-sarcosine	0.207
Dansyl-L-norvaline	0.186
Diazepam	0.180
L-Thyroxine	0.172
Propofol	0.170
Indoxyl sulphate	0.143
(S)-Ibuprofen	0.121

Site 3_IB
Azapropazone	0.191
Compound 3	0.151
Bilirubin	0.144
Fusidic acid	0.118

Latest Predictions

Chemical structure