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 |
|---|---|---|---|
| 1r9o | FLP | Cytochrome P450 2C9 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1r9o | FLP | Cytochrome P450 2C9 | / | 1.000 | |
| 2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.490 | |
| 3s79 | ASD | Aromatase | 1.14.14.14 | 0.474 | |
| 4iui | 1GQ | Estrogen receptor | / | 0.474 | |
| 3t3r | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.463 | |
| 4ejg | NCT | Cytochrome P450 2A13 | 1.14.14.1 | 0.463 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.460 | |
| 2i4z | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.459 | |
| 4jvb | 1M0 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.457 | |
| 2uxh | QUE | HTH-type transcriptional regulator TtgR | / | 0.456 | |
| 1rx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 4eqx | FAD | Coenzyme A disulfide reductase | / | 0.454 | |
| 1xuo | LA1 | Integrin alpha-L | / | 0.453 | |
| 3ua5 | 06X | Cytochrome P450 2B6 | 1.14.13 | 0.453 | |
| 2nnh | REA | Cytochrome P450 2C8 | / | 0.449 | |
| 1i7i | AZ2 | Peroxisome proliferator-activated receptor gamma | / | 0.448 | |
| 1ek2 | CDU | Bifunctional epoxide hydrolase 2 | / | 0.445 | |
| 3dxj | NE6 | DNA-directed RNA polymerase subunit beta | / | 0.445 | |
| 3dxj | NE6 | DNA-directed RNA polymerase subunit beta' | / | 0.445 | |
| 3ey9 | TDP | Pyruvate dehydrogenase [ubiquinone] | 1.2.5.1 | 0.445 | |
| 3rpn | GTX | Glutathione S-transferase kappa 1 | 2.5.1.18 | 0.445 | |
| 3ruk | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.445 | |
| 3t3q | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.445 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.445 | |
| 3v9y | 24L | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.445 | |
| 1fpq | SAM | Isoliquiritigenin 2'-O-methyltransferase | / | 0.444 | |
| 1iyz | NDP | Probable quinone oxidoreductase | / | 0.444 | |
| 2z97 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.444 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.444 | |
| 1zeo | C01 | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 4f4d | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.443 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.443 | |
| 4qys | PLR | Tryptophan synthase beta chain 2 | 4.2.1.20 | 0.442 | |
| 1rc1 | KT3 | Trifunctional purine biosynthetic protein adenosine-3 | 2.1.2.2 | 0.441 | |
| 2zb4 | 5OP | Prostaglandin reductase 2 | 1.3.1.48 | 0.441 | |
| 3stx | BKA | Methylketone synthase I | / | 0.441 | |
| 4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.441 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.440 | |
| 3hbb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
| 4z61 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.440 |