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 |
|---|---|---|---|
| 3tjs | D0R | Cytochrome P450 3A4 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3tjs | D0R | Cytochrome P450 3A4 | / | 1.000 | |
| 4k9v | 6AW | Cytochrome P450 3A4 | / | 0.624 | |
| 3ua1 | 08Y | Cytochrome P450 3A4 | / | 0.585 | |
| 4k9u | 5AW | Cytochrome P450 3A4 | / | 0.581 | |
| 2j0d | ERY | Cytochrome P450 3A4 | / | 0.563 | |
| 3s79 | ASD | Aromatase | 1.14.14.14 | 0.557 | |
| 3nxu | RIT | Cytochrome P450 3A4 | / | 0.547 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.545 | |
| 3ruk | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.540 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.540 | |
| 3wec | AUI | Cytochrome P450 | / | 0.528 | |
| 4g3r | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.524 | |
| 3mdv | CL6 | Cholesterol 24-hydroxylase | / | 0.523 | |
| 3t3q | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.521 | |
| 4dvq | 1CA | Cytochrome P450 11B2, mitochondrial | 1.14.15.4 | 0.520 | |
| 1eup | ASD | 6-deoxyerythronolide B hydroxylase | / | 0.518 | |
| 3cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.517 | |
| 3tk3 | CPZ | Cytochrome P450 2B4 | 1.14.14.1 | 0.517 | |
| 3fwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.514 | |
| 4enh | FVX | Cholesterol 24-hydroxylase | / | 0.514 | |
| 1yrc | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.510 | |
| 3t3r | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.509 | |
| 2cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.506 | |
| 1iwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.505 | |
| 3fwf | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.504 | |
| 4cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.504 | |
| 4ejh | 0QA | Cytochrome P450 2A13 | 1.14.14.1 | 0.504 | |
| 4eji | 0QA | Cytochrome P450 2A13 | 1.14.14.1 | 0.504 | |
| 3fwi | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.503 | |
| 4ek1 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.503 | |
| 4i8v | BHF | Cytochrome P450 1A1 | 1.14.14.1 | 0.503 | |
| 1iwi | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.502 | |
| 4l49 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.502 | |
| 1uyu | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.501 | |
| 1t86 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.500 | |
| 4ejg | NCT | Cytochrome P450 2A13 | 1.14.14.1 | 0.500 | |
| 4l4d | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.500 | |
| 2a1m | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.499 | |
| 6cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.498 | |
| 1noo | CAH | Camphor 5-monooxygenase | 1.14.15.1 | 0.497 | |
| 1suo | CPZ | Cytochrome P450 2B4 | 1.14.14.1 | 0.497 | |
| 3fwg | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.497 | |
| 3wrj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.497 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.495 | |
| 1t85 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.495 | |
| 3wrm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.494 | |
| 1dz6 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.493 | |
| 3mdm | FJZ | Cholesterol 24-hydroxylase | / | 0.493 | |
| 1yrd | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.492 | |
| 2qbn | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.492 | |
| 3wrh | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.492 | |
| 1dz8 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.490 | |
| 1phe | PIY | Camphor 5-monooxygenase | 1.14.15.1 | 0.490 | |
| 1phg | MYT | Camphor 5-monooxygenase | 1.14.15.1 | 0.489 | |
| 4l4b | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.489 | |
| 1geb | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.488 | |
| 5hs1 | VOR | Lanosterol 14-alpha demethylase | / | 0.488 | |
| 4l4c | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.487 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.486 | |
| 2zaw | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.485 | |
| 1t88 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.484 | |
| 2w0b | CMW | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.484 | |
| 5cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.484 | |
| 2feu | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.483 | |
| 2z97 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.483 | |
| 4l4a | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.483 | |
| 4l4e | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.483 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.482 | |
| 1dz4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.481 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.481 | |
| 3lxi | CAM | Cytochrome P450 | / | 0.481 | |
| 1t87 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.480 | |
| 2a1n | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.480 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.480 | |
| 3wrl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.480 | |
| 2qbo | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.479 | |
| 1q5d | EPB | Epothilone C/D epoxidase | 1.14 | 0.478 | |
| 4kky | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.478 | |
| 2zax | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.477 | |
| 4l4f | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.477 | |
| 2zui | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.476 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.476 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.473 | |
| 3l63 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.473 | |
| 2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.471 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.470 | |
| 2qbm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.470 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.467 | |
| 4lxj | LAN | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.465 | |
| 2m56 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.463 | |
| 4c9p | CAM | Cytochrome P450 | / | 0.463 | |
| 4fmx | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.463 | |
| 4egn | TWO | Cytochrome P450 | / | 0.459 | |
| 1rf9 | DBR | Camphor 5-monooxygenase | 1.14.15.1 | 0.457 | |
| 4lht | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.456 | |
| 4l6g | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.453 | |
| 3ibd | CPZ | Cytochrome P450 2B6 | 1.14.13 | 0.448 | |
| 3ol5 | SAW | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 2a1o | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 |