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 |
|---|---|---|---|
| 2ikj | 393 | Aldose reductase | 1.1.1.21 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2ikj | 393 | Aldose reductase | 1.1.1.21 | 1.000 | |
| 1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.787 | |
| 3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.786 | |
| 2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.739 | |
| 2fz9 | ZST | Aldose reductase | 1.1.1.21 | 0.737 | |
| 1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.730 | |
| 2iki | 388 | Aldose reductase | 1.1.1.21 | 0.730 | |
| 2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.697 | |
| 2ikh | LIT | Aldose reductase | 1.1.1.21 | 0.679 | |
| 1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.676 | |
| 3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.664 | |
| 3lql | LDT | Aldose reductase | 1.1.1.21 | 0.659 | |
| 3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.658 | |
| 2hv5 | ZST | Aldose reductase | 1.1.1.21 | 0.653 | |
| 4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.628 | |
| 1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.621 | |
| 3t42 | 3T4 | Aldose reductase | 1.1.1.21 | 0.609 | |
| 1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.608 | |
| 3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.603 | |
| 2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.602 | |
| 3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.602 | |
| 2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.601 | |
| 2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.601 | |
| 2duz | ZST | Aldose reductase | 1.1.1.21 | 0.599 | |
| 2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.597 | |
| 2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.596 | |
| 2pdb | ZST | Aldose reductase | 1.1.1.21 | 0.595 | |
| 2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.594 | |
| 4yu1 | 53N | Aldose reductase | 1.1.1.21 | 0.588 | |
| 2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.587 | |
| 2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.586 | |
| 3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.585 | |
| 2pd5 | ZST | Aldose reductase | 1.1.1.21 | 0.584 | |
| 2i16 | LDT | Aldose reductase | 1.1.1.21 | 0.578 | |
| 2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.578 | |
| 3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.577 | |
| 2dux | ZST | Aldose reductase | 1.1.1.21 | 0.576 | |
| 2pdp | 393 | Aldose reductase | 1.1.1.21 | 0.573 | |
| 3len | ZST | Aldose reductase | 1.1.1.21 | 0.573 | |
| 2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.571 | |
| 3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.571 | |
| 3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.569 | |
| 3ght | LDT | Aldose reductase | 1.1.1.21 | 0.562 | |
| 2qxw | LDT | Aldose reductase | 1.1.1.21 | 0.561 | |
| 2pdj | 393 | Aldose reductase | 1.1.1.21 | 0.557 | |
| 1iei | ZES | Aldose reductase | 1.1.1.21 | 0.555 | |
| 2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.554 | |
| 3ghs | LDT | Aldose reductase | 1.1.1.21 | 0.552 | |
| 3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.542 | |
| 1us0 | LDT | Aldose reductase | 1.1.1.21 | 0.535 | |
| 2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.531 | |
| 2pdq | 47D | Aldose reductase | 1.1.1.21 | 0.514 | |
| 2pdw | FID | Aldose reductase | 1.1.1.21 | 0.512 | |
| 1frb | ZST | Aldose reductase-related protein 2 | / | 0.506 | |
| 1el3 | I84 | Aldose reductase | 1.1.1.21 | 0.505 | |
| 2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.501 | |
| 1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.500 | |
| 1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.494 | |
| 2inz | OHP | Aldose reductase | 1.1.1.21 | 0.494 | |
| 2agt | FID | Aldose reductase | 1.1.1.21 | 0.490 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.486 | |
| 1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.485 | |
| 2pdy | FID | Aldose reductase | 1.1.1.21 | 0.483 | |
| 3ghu | LDT | Aldose reductase | 1.1.1.21 | 0.482 | |
| 3g4k | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.475 | |
| 3o56 | ZG1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.475 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.475 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.471 | |
| 4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.470 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.467 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.467 | |
| 2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.467 | |
| 3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.467 | |
| 1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.466 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.466 | |
| 2fm0 | M98 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.465 | |
| 1oyn | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.463 | |
| 5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.462 | |
| 1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.461 | |
| 1y2d | 4DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.460 | |
| 3aiq | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1b, chloroplastic | 3.2.1.182 | 0.460 | |
| 3o57 | ZG2 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.460 | |
| 4bjc | RPB | Tankyrase-2 | 2.4.2.30 | 0.460 | |
| 1y2b | DEE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.459 | |
| 3sni | 546 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.459 | |
| 4wev | SUZ | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.459 | |
| 1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.458 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.458 | |
| 5std | UNN | Scytalone dehydratase | 4.2.1.94 | 0.457 | |
| 1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.456 | |
| 2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.456 | |
| 4dbs | 0HV | Aldo-keto reductase family 1 member C3 | / | 0.456 | |
| 4muw | 2F4 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.456 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.456 | |
| 4tjy | 3GN | Tankyrase-2 | 2.4.2.30 | 0.456 | |
| 4u16 | 3C0 | Muscarinic acetylcholine receptor M3 | / | 0.454 | |
| 1v08 | NTZ | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic | 3.2.1.182 | 0.453 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
| 1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
| 2c6c | 24I | Glutamate carboxypeptidase 2 | 3.4.17.21 | 0.453 | |
| 3af1 | GDP | Pantothenate kinase | 2.7.1.33 | 0.453 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.453 | |
| 3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.453 | |
| 3wi2 | P98 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.452 | |
| 3d3p | 20A | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.451 | |
| 4llk | MEW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.451 | |
| 4lsa | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.451 | |
| 1tl7 | FOK | Adenylate cyclase type 2 | / | 0.448 | |
| 1tl7 | FOK | Adenylate cyclase type 5 | / | 0.448 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial | 1.2.4.4 | 0.448 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial | 1.2.4.4 | 0.448 | |
| 3bv7 | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.448 | |
| 4kn0 | MTX | Folate receptor beta | / | 0.448 | |
| 4lrh | FOL | Folate receptor alpha | / | 0.448 | |
| 2ea4 | F79 | Methionine aminopeptidase 2 | / | 0.447 | |
| 3g58 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
| 3iak | EV1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.447 | |
| 4kp6 | 1S1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.447 | |
| 4li6 | 1XO | Tankyrase-1 | 2.4.2.30 | 0.447 | |
| 1xf0 | ASD | Aldo-keto reductase family 1 member C3 | / | 0.446 | |
| 1y2e | 5DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 4bjb | P34 | Tankyrase-2 | 2.4.2.30 | 0.446 | |
| 1lnm | DTX | Bilin-binding protein | / | 0.445 | |
| 1udt | VIA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.445 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.445 | |
| 1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
| 3r8h | ZOM | Aldo-keto reductase family 1 member C3 | / | 0.445 | |
| 1ah0 | SBI | Aldose reductase | 1.1.1.21 | 0.444 | |
| 1ihi | IU5 | Aldo-keto reductase family 1 member C2 | / | 0.444 | |
| 2ouy | CMP | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 1eko | I84 | Aldose reductase | 1.1.1.21 | 0.443 | |
| 3aiv | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic | 3.2.1.182 | 0.443 | |
| 3v35 | NTI | Aldose reductase | 1.1.1.21 | 0.443 | |
| 4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.443 | |
| 4i9i | 1DY | Tankyrase-1 | 2.4.2.30 | 0.443 | |
| 4phl | PIL | Phosphodiesterase | / | 0.443 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.442 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.442 | |
| 1zkn | IBM | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.442 | |
| 2o8h | 227 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 2ovy | PFJ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 2xi4 | AFT | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 4bj9 | UHB | Tankyrase-2 | 2.4.2.30 | 0.442 | |
| 4lm4 | JPZ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.441 | |
| 3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.441 | |
| 3sl6 | JN8 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 4gg1 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.441 | |
| 2jf0 | HBP | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 4k4e | K4E | Tankyrase-1 | 2.4.2.30 | 0.440 | |
| 4li8 | 1XQ | Tankyrase-1 | 2.4.2.30 | 0.440 |