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 |
|---|---|---|---|
| 3gph | OID | Cytochrome P450 2E1 | 1.14.13 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3gph | OID | Cytochrome P450 2E1 | 1.14.13 | 1.000 | |
| 4ejh | 0QA | Cytochrome P450 2A13 | 1.14.14.1 | 0.536 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.515 | |
| 4ejg | NCT | Cytochrome P450 2A13 | 1.14.14.1 | 0.502 | |
| 3t3r | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.495 | |
| 3t3q | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.489 | |
| 4i8v | BHF | Cytochrome P450 1A1 | 1.14.14.1 | 0.485 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.483 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.481 | |
| 1suo | CPZ | Cytochrome P450 2B4 | 1.14.14.1 | 0.469 | |
| 4r21 | STR | Cytochrome P450 family 17 polypeptide 2 | / | 0.469 | |
| 4y8w | STR | Steroid 21-hydroxylase | / | 0.468 | |
| 3ibd | CPZ | Cytochrome P450 2B6 | 1.14.13 | 0.457 | |
| 3s79 | ASD | Aromatase | 1.14.14.14 | 0.455 | |
| 3pm0 | BHF | Cytochrome P450 1B1 | / | 0.451 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.446 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.445 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.445 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.445 |