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: Non albumin ligand (prediction accuracy: 92.1%)
Please note that binding site 3 prediction is not included in the built in SVM model.
| Molecular Weight | = | 146.24 |
| logP | = | -1.195 |
| Ghose-Viswanadhan-Wendoloski antiinflammatory-like index | = | 0 |
| number of carboxylic acids (aliphatic) | = | 0 |
| number of substituted benzene C(sp2) | = | 0 |
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 | |
| Salicylic acid | 0.167 |
| L-Thyroxine | 0.130 |
| Iodipamide | 0.130 |
| Diiodosalicylic acid | 0.129 |
| Dansyl-L-asparagine | 0.129 |
| Phenylbutazone | 0.100 |
| Compound 2 | 0.085 |
| Compound 1 | 0.083 |
| Azapropazone | 0.077 |
| Indomethacin | 0.076 |
| CMPF | 0.064 |
| R-Warfarin | 0.051 |
| Site 2_IIIA | |
| Dansyl-L-sarcosine | 0.188 |
| (S)-Ibuprofen | 0.157 |
| Diflunisal | 0.155 |
| Dansyl-L-norvaline | 0.141 |
| L-Thyroxine | 0.130 |
| Propofol | 0.109 |
| Diazepam | 0.073 |
| Indoxyl sulphate | 0.060 |
| Site 3_IB | |
| Fusidic acid | 0.138 |
| Azapropazone | 0.080 |
| Compound 3 | 0.051 |
| Bilirubin | 0.041 |
