sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Cavities are compared using Shaper.
For more information, please see the following publication:
Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 1sny | NAP | LD36273p |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1sny | NAP | LD36273p | / | 1.000 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.520 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.504 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.498 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.494 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.492 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.487 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.483 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.480 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.476 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.474 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.474 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.472 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.470 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.469 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.466 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.462 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.459 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.458 | |
| 4qec | NAP | ElxO | / | 0.458 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.457 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.455 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.455 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.454 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.453 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.453 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.450 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.449 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.448 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.446 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.442 | |
| 3sju | NDP | Keto reductase | / | 0.442 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.442 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.441 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.441 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.440 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.440 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.440 |