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 |
|---|---|---|---|
| 1s9q | OHT | Estrogen-related receptor gamma |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1s9q | OHT | Estrogen-related receptor gamma | / | 1.000 | |
| 2gpv | OHT | Estrogen-related receptor gamma | / | 0.648 | |
| 2p7z | OHT | Estrogen-related receptor gamma | / | 0.614 | |
| 2gpu | OHT | Estrogen-related receptor gamma | / | 0.570 | |
| 1s9p | DES | Estrogen-related receptor gamma | / | 0.536 | |
| 2ewp | TXF | Estrogen-related receptor gamma | / | 0.532 | |
| 1err | RAL | Estrogen receptor | / | 0.511 | |
| 1yin | CM3 | Estrogen receptor | / | 0.508 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.503 | |
| 2ovh | AS0 | Progesterone receptor | / | 0.501 | |
| 3d90 | NOG | Progesterone receptor | / | 0.488 | |
| 4a2j | AS0 | Progesterone receptor | / | 0.488 | |
| 4ia1 | BIV | Vitamin D3 receptor A | / | 0.488 | |
| 4ia3 | BIV | Vitamin D3 receptor A | / | 0.486 | |
| 2qe4 | JJ3 | Estrogen receptor | / | 0.483 | |
| 1qkn | RAL | Estrogen receptor beta | / | 0.481 | |
| 1nhz | 486 | Glucocorticoid receptor | / | 0.480 | |
| 2bj4 | OHT | Estrogen receptor | / | 0.475 | |
| 2jfa | RAL | Estrogen receptor | / | 0.475 | |
| 2jf9 | OHT | Estrogen receptor | / | 0.472 | |
| 1gs4 | ZK5 | Androgen receptor | / | 0.468 | |
| 4em9 | TCE | Peroxisome proliferator-activated receptor gamma | / | 0.468 | |
| 4lsj | LSJ | Glucocorticoid receptor | / | 0.467 | |
| 5ai5 | BSU | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.467 | |
| 1xqc | AEJ | Estrogen receptor | / | 0.465 | |
| 3h4v | DVP | Pteridine reductase 1 | 1.5.1.33 | 0.464 | |
| 4nc3 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.464 | |
| 2bf7 | HBI | Pteridine reductase 1 | 1.5.1.33 | 0.461 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.460 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.458 | |
| 1nde | MON | Estrogen receptor beta | / | 0.458 | |
| 2w8y | NDR | Progesterone receptor | / | 0.458 | |
| 2x7g | PVB | SRSF protein kinase 2 | 2.7.11.1 | 0.458 | |
| 1fby | REA | Retinoic acid receptor RXR-alpha | / | 0.457 | |
| 1sj0 | E4D | Estrogen receptor | / | 0.457 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.457 | |
| 4ib4 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.457 | |
| 1uom | PTI | Estrogen receptor | / | 0.456 | |
| 2ab2 | SNL | Mineralocorticoid receptor | / | 0.456 | |
| 4bch | T7Z | Cyclin-dependent kinase 9 | 2.7.11.22 | 0.456 | |
| 5uvi | ZMA | Adenosine receptor A2a | / | 0.456 | |
| 3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.454 | |
| 4apu | OR8 | Progesterone receptor | / | 0.454 | |
| 4fjz | 4FJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.454 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.453 | |
| 2imf | TOM | 2-hydroxychromene-2-carboxylate isomerase | 5.99.1.4 | 0.453 | |
| 2pix | DHT | Androgen receptor | / | 0.453 | |
| 3zrb | OR8 | Progesterone receptor | / | 0.453 | |
| 2aax | PDN | Mineralocorticoid receptor | / | 0.452 | |
| 2pog | WST | Estrogen receptor | / | 0.452 | |
| 4l4a | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.452 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1xp6 | AIU | Estrogen receptor | / | 0.451 | |
| 2o65 | MYF | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.451 | |
| 2uxh | QUE | HTH-type transcriptional regulator TtgR | / | 0.451 | |
| 3eek | 53S | Uncharacterized protein | / | 0.451 | |
| 2qjp | SMA | Cytochrome b | / | 0.450 | |
| 2w8y | 486 | Progesterone receptor | / | 0.450 | |
| 2z97 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.450 | |
| 3ans | S38 | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.450 | |
| 1rkh | VD2 | Vitamin D3 receptor | / | 0.449 | |
| 1yqj | 6NP | Mitogen-activated protein kinase 14 | / | 0.449 | |
| 3cse | N22 | Uncharacterized protein | / | 0.449 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.448 | |
| 1lco | PPY | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.448 | |
| 2amb | 17H | Androgen receptor | / | 0.448 | |
| 3fwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.448 | |
| 3neg | PYV | Abscisic acid receptor PYL1 | / | 0.448 | |
| 3uvv | REA | Retinoic acid receptor RXR-alpha | / | 0.448 | |
| 3vhu | SNL | Mineralocorticoid receptor | / | 0.448 | |
| 5d7q | 4I5 | NAD-dependent protein deacetylase sirtuin-2 | 3.5.1 | 0.448 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.447 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 3new | 3NE | Mitogen-activated protein kinase 14 | / | 0.447 | |
| 1dz6 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 1mzn | BM6 | Retinoic acid receptor RXR-alpha | / | 0.446 | |
| 2bfm | TOP | Pteridine reductase 1 | 1.5.1.33 | 0.446 | |
| 3zra | ORB | Progesterone receptor | / | 0.446 | |
| 4apu | A2K | Progesterone receptor | / | 0.446 | |
| 4dfn | 0K1 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.446 | |
| 4hle | 17V | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.445 | |
| 2piv | DHT | Androgen receptor | / | 0.445 | |
| 2wcg | MT5 | Glucosylceramidase | 3.2.1.45 | 0.445 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.445 | |
| 4enh | FVX | Cholesterol 24-hydroxylase | / | 0.445 | |
| 4ite | TEY | Vitamin D3 receptor | / | 0.445 | |
| 4klr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.445 | |
| 5c8d | 5AD | Probable transcriptional regulator | / | 0.445 | |
| 1rdt | L79 | Retinoic acid receptor RXR-alpha | / | 0.444 | |
| 2oax | SNL | Mineralocorticoid receptor | / | 0.444 | |
| 2jed | LG8 | Protein kinase C theta type | 2.7.11.13 | 0.443 | |
| 4rw6 | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.443 | |
| 5d7p | OCZ | NAD-dependent protein deacetylase sirtuin-2 | 3.5.1 | 0.443 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3n3z | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 3vso | EK1 | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 3zrb | ORC | Progesterone receptor | / | 0.442 | |
| 1uhl | MEI | Retinoic acid receptor RXR-beta | / | 0.441 | |
| 2m56 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.441 | |
| 1xj7 | DHT | Androgen receptor | / | 0.440 | |
| 2fsz | OHT | Estrogen receptor beta | / | 0.440 | |
| 3rql | H4B | Nitric oxide synthase, brain | 1.14.13.39 | 0.440 | |
| 3vg9 | ZMA | Adenosine receptor A2a | / | 0.440 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.440 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.440 | |
| 3vtc | TK3 | Vitamin D3 receptor | / | 0.440 | |
| 3zr7 | OR8 | Progesterone receptor | / | 0.440 | |
| 4iv4 | 1GS | Estrogen receptor | / | 0.440 |