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 |
|---|---|---|---|
| 4uhr | NGI | Adenosine receptor A2a |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4uhr | NGI | Adenosine receptor A2a | / | 1.000 | |
| 2ydv | NEC | Adenosine receptor A2a | / | 0.621 | |
| 2ydo | ADN | Adenosine receptor A2a | / | 0.612 | |
| 4ug2 | NGI | Adenosine receptor A2a | / | 0.568 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.555 | |
| 5k2d | ZMA | Adenosine receptor A2a | / | 0.544 | |
| 5jtb | ZMA | Adenosine receptor A2a | / | 0.541 | |
| 5uvi | ZMA | Adenosine receptor A2a | / | 0.540 | |
| 5k2c | ZMA | Adenosine receptor A2a | / | 0.539 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.537 | |
| 5iu8 | 6DZ | Adenosine receptor A2a | / | 0.536 | |
| 5iua | 6DX | Adenosine receptor A2a | / | 0.532 | |
| 5g53 | NEC | Adenosine receptor A2a | / | 0.513 | |
| 5iub | CLR | Adenosine receptor A2a | / | 0.510 | |
| 4eiy | ZMA | Adenosine receptor A2a | / | 0.505 | |
| 5iu4 | ZMA | Adenosine receptor A2a | / | 0.501 | |
| 3eml | ZMA | Adenosine receptor A2a | / | 0.494 | |
| 3pwh | ZMA | Adenosine receptor A2a | / | 0.489 | |
| 1osv | CHC | Bile acid receptor | / | 0.485 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.475 | |
| 3rfm | CFF | Adenosine receptor A2a | / | 0.475 | |
| 2qd4 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.472 | |
| 3qak | UKA | Adenosine receptor A2a | / | 0.463 | |
| 3uzc | T4E | Adenosine receptor A2a | / | 0.462 | |
| 3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.459 | |
| 4qa0 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.458 | |
| 1y5r | C0R | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.455 | |
| 3jyn | NDP | Quinone oxidoreductase | / | 0.455 | |
| 4cax | MYA | Glycylpeptide N-tetradecanoyltransferase | 2.3.1.97 | 0.455 | |
| 3aba | FLI | Cytochrome P450 | / | 0.454 | |
| 4nc3 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.451 | |
| 4wo5 | 324 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.451 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.450 | |
| 5fm7 | ADP | RuvB-like helicase | / | 0.450 | |
| 2e9d | B76 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.449 | |
| 2w98 | P1Z | Prostaglandin reductase 2 | 1.3.1.48 | 0.449 | |
| 1lri | CLR | Beta-elicitin cryptogein | / | 0.448 | |
| 1v0p | PVB | Cell division control protein 2 homolog | 2.7.11.22 | 0.448 | |
| 2bxo | OPB | Serum albumin | / | 0.448 | |
| 2vf0 | F89 | Thymidylate synthase | / | 0.447 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.447 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.447 | |
| 3m9v | TYD | FAD-dependent oxidoreductase | / | 0.446 | |
| 3x2f | NAI | Adenosylhomocysteinase | / | 0.446 | |
| 3icr | COA | Coenzyme A disulfide reductase | / | 0.444 | |
| 3rqj | H4B | Nitric oxide synthase, brain | 1.14.13.39 | 0.444 | |
| 1nue | GDP | Nucleoside diphosphate kinase B | 2.7.4.6 | 0.443 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.443 | |
| 4fcd | 0T6 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.443 | |
| 2qo6 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.442 | |
| 3liv | E16 | Protease | / | 0.442 | |
| 3zsh | 469 | Mitogen-activated protein kinase 14 | / | 0.442 | |
| 4ryv | ZEA | Protein LlR18A | / | 0.442 | |
| 4z34 | ON7 | Lysophosphatidic acid receptor 1 | / | 0.442 | |
| 3rey | XAC | Adenosine receptor A2a | / | 0.442 | |
| 3w1w | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.441 | |
| 3gmd | 2M3 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.440 | |
| 3vg9 | ZMA | Adenosine receptor A2a | / | 0.440 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.440 |