Prediction : 2-4-3-trifluoromethylphenylsulfonylaminophenylacetamide - 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 2 (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	=	358.370
logP	=	2.769
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index	=	1.000
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
Dansyl-L-asparagine	0.359
Compound 1	0.256
Compound 2	0.254
Indomethacin	0.251
L-Thyroxine	0.226
Iodipamide	0.221
Phenylbutazone	0.192
Azapropazone	0.177
Diiodosalicylic acid	0.155
Salicylic acid	0.154
R-Warfarin	0.140
CMPF	0.124

Site 2_IIIA
Dansyl-L-sarcosine	0.383
Dansyl-L-norvaline	0.374
(S)-Ibuprofen	0.242
L-Thyroxine	0.226
Propofol	0.173
Diazepam	0.165
Diflunisal	0.141
Indoxyl sulphate	0.118

Site 3_IB
Azapropazone	0.176
Compound 3	0.169
Bilirubin	0.133
Fusidic acid	0.107

Latest Predictions

Chemical structure