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 result: Albumin ligand (prediction accuracy: 92.1%), binding site 2 (prediction accuracy: 80.0%)
Please note that binding site 3 prediction is not included in the built in SVM model.
Molecular Weight | = | 1449.39 |
logP | = | 0.199 |
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index | = | 0 |
number of carboxylic acids (aliphatic) | = | 1 |
number of substituted benzene C(sp2) | = | 17 |
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 | |
Indomethacin | 0.312 |
Compound 1 | 0.260 |
Compound 2 | 0.255 |
L-Thyroxine | 0.241 |
Azapropazone | 0.233 |
R-Warfarin | 0.158 |
Dansyl-L-asparagine | 0.155 |
Phenylbutazone | 0.153 |
Iodipamide | 0.152 |
CMPF | 0.128 |
Diiodosalicylic acid | 0.121 |
Salicylic acid | 0.106 |
Site 2_IIIA | |
L-Thyroxine | 0.241 |
Diazepam | 0.185 |
Diflunisal | 0.152 |
Dansyl-L-norvaline | 0.148 |
(S)-Ibuprofen | 0.139 |
Dansyl-L-sarcosine | 0.130 |
Propofol | 0.104 |
Indoxyl sulphate | 0.087 |
Site 3_IB | |
Azapropazone | 0.241 |
Bilirubin | 0.212 |
Compound 3 | 0.189 |
Fusidic acid | 0.147 |