Table 1.
Summary of the TIMBAL contents
| Target name | Protein complex | N data points | N unique SM | N papers | N prot-sm PDB | N total PDB | N unique SM in v1 |
|---|---|---|---|---|---|---|---|
| 14-3-3a | 14-3-3/PMA | 3 | 3 | 2 | 3 | 8 | |
| Adenylyl Cyclasea | Adenylyl Cyclase dimer C1-C2 domains | 7 (2) | 3 (1) | 3 | 2 | 17 | |
| Annexin A2 | Annexin A2/S100-A10 | 164 (22) | 54 (10) | 1 | 0 | 9 | |
| ARF1a | ARF1/SEC7 | 4 | 2 | 2 | 1 | 19 | |
| AuxinIAAa | AuxinIAA-TIR1 | 1 | 1 | 1 | 1 | 8 | |
| Bcl-XL and Bcl-2 | Bcl-2 and Bcl-XL with BAX; BAK and BID | 1256 (77) | 645 (71) | 65 | 16 | 78 | 26 |
| Beta-catenin | BetaCatenin/Tcf4 and Tcf3 | 12 (7) | 12 (7) | 4 | 0 | 26 | 4 |
| BIII | BIII/X11a | 0 | 0 | 0 | 0 | 13 | |
| BRD2 | BRD2/Ack | 93 (5) | 44 (4) | 7 | 12 | 21 | |
| BRD4 | BRD4/NUT | 109 (2) | 52 (2) | 8 | 4 | 35 | |
| BRDT | BRDT/H4 | 29 (2) | 28 (2) | 4 | 1 | 4 | |
| CD154 | CD40/CD154 | 1 (1) | 1 (1) | 1 | 0 | 8 | |
| CD74 | CD74/MIF | 0 | 0 | 0 | 0 | 49 | |
| CD80 (B7-1) | CD80/CD28 (or CTLA-4) | 4 | 4 | 3 | 0 | 10 | 4 |
| Clathrin | Clathrin/adaptor and accessory proteins | 2 | 2 | 1 | 2 | 18 | |
| c-Myc | c-Myc/Max | 1 | 1 | 1 | 0 | 10 | 1 |
| CRM1 | CRM1/Rev | 182 (144) | 59 (51) | 4 | 0 | 23 | 2 |
| Cyclophilins | Cyclophilins | 261 (37) | 194 (33) | 11 | 0 | 69 | |
| E2 | E1/E2 | 50 (1) | 44 (1) | 6 | 1 | 30 | 4 |
| HIF-1a | HIF-1a/p300 | 274 (43) | 182 (36) | 20 | 0 | 12 | |
| IL-2 | IL-2/IL-2Ra | 52 (2) | 48 (2) | 5 | 4 | 19 | 6 |
| Immunophilin FKBP1Aa | FKBP1A/FK506 | 571 (9) | 540 (9) | 30 | 10 | 44 | |
| Integrins | Integrins | 9730 (498) | 3685 (307) | 210 | 2 | 83 | |
| K-Ras | K-Ras/SOS1 | 5 | 5 | 1 | 5 | 9 | |
| Keap1 | Nrf2/Keap1 | 0 | 0 | 0 | 0 | 31 | |
| LMO2 | LMO2/LDB1 or TAL1 | 0 | 0 | 0 | 0 | 5 | |
| MDM2 | p53/MDM2 | 320 (52) | 236 (47) | 23 | 8 | 34 | 16 |
| MDMX | p53/MDMX | 44 (16) | 40 (16) | 4 | 1 | 15 | |
| Maxa | Max dimer | 0 | 0 | 0 | 0 | 8 | |
| MLL | MLL/Menin | 2 | 2 | 1 | 2 | 22 | |
| Neuropilin-1 | Neuropilin-1/VEGF-A | 177 (11) | 157 (11) | 6 | 1 | 37 | |
| PPAR-gamma | PPAR-gamma/NRCoA1 | 0 | 0 | 0 | 0 | 235 | |
| Plk1(PBD) | Plk1(PBD)/PBD substrate | 2 | 2 | 1 | 2 | 35 | |
| Rac1 | Rac1/GEFs | 118 (11) | 76 (11) | 3 | 0 | 28 | |
| Rad51 | Rad51/BRCA2 | 34 (4) | 10 (2) | 2 | 8 | 33 | |
| RGS4 | RGS4/Galpha-o protein | 1 | 1 | 1 | 0 | 3 | 1 |
| RRTF1 | RRTF1/CBFb | 0 | 0 | 0 | 0 | 15 | |
| S100B | S100B/p53 | 19 | 18 | 4 | 5 | 32 | 7 |
| SOD1a | SOD1 dimer | 28 (17) | 16 (11) | 5 | 2 | 109 | |
| STAT3 | STAT3 dimer | 42 (7) | 33 (6) | 3 | 0 | 2 | |
| STAT5 | STAT5 dimer | 19 | 5 | 2 | 0 | 1 | |
| Sur-2 | ESX/Sur-2 (DRIP130) | 29 (8) | 9 (4) | 2 | 0 | 1 | 1 |
| Tak1 | Tak1/Tab1 | 1 | 1 | 1 | 0 | 7 | |
| TNFa | TNFa trimer or TNFa/TNFR | 8 | 7 | 3 | 1 | 13 | 2 |
| Transthyretina | Transthyretin tetramer | 592 (71) | 350 (69) | 18 | 24 | 180 | |
| ToxT | ToxT dimer | 1 | 1 | 1 | 0 | 1 | 1 |
| Tubulina | Tubulin dimer | 75 (36) | 64 (36) | 9 | 1 | 18 | |
| UL42 | UL30(Pol)/UL42 subunits of HSV type 1 DNA polymerase | 4 | 4 | 1 | 0 | 1 | 3 |
| XIAP | XIAP/Caspase9 or SMAC (BIR3 domanin) | 538 (23) | 312 (18) | 30 | 8 | 38 | 5 |
| ZipA | ZipA/FtsZ | 24 | 23 | 6 | 4 | 8 | 21 |
N data points, number of data points for each target; N unique SM, number of distinct small molecules for each target; N papers, number of distinct publications per target; N prot-sm PDB, number of protein–small molecule complexes in the PDB for each target; N total PDB, number of PDB for each target, including protein–protein, protein–small molecule and apo protein structures; N unique SM in v1, For comparison, number of unique small molecules per target that were in previous version of the database.
Numbers in parentheses for data points and unique small molecules refer to inactive molecules.
aSM for the targets are stabilizers of PPI.