Table 2.
Inference of ligand binding affinity to TINAGL1.
| Hydrophobic | Vdw | HBond | Ent | Cyscore | |
|---|---|---|---|---|---|
| 1GMY_hld | -0.4156 | -1.77 | 0 | 0.378 | -1.8086 |
| 1ITO_E6C | -0.3024 | -0.56 | 0 | 0.42 | -0.4461 |
| 1QDQ_074 | -1.3611 | -1.88 | 0 | 0.42 | -2.8243 |
| 2DC6_73V | -0.552 | -1.79 | 0 | 0.63 | -1.7081 |
| 2DC7_042 | -0.5374 | -1.56 | 0 | 0.588 | -1.514 |
| 2DC8_59A | -0.5766 | -1.6 | 0 | 0.462 | -1.717 |
| 2DC9_74M | -1.3254 | -1.24 | 0 | 0.462 | -2.1026 |
| 2DCA_75V | -1.1413 | -1.52 | 0 | 0.546 | -2.1103 |
| 2DCB_76V | -1.6095 | -1.76 | 0 | 0.63 | -2.7419 |
| 2DCC_77B | -0.5932 | -2.07 | 0 | 0.63 | -2.0373 |
| 2DCD_78A | -1.5344 | -1.65 | 0 | 0.42 | -2.7627 |
| 3AI8_HNQ | -0.7476 | 0.635 | 0 | 0.042 | -0.0704 |
| 3PDF_LXV | -0.6498 | -0.96 | 0 | 0.168 | -1.4434 |
| 3S3Q_C1P | -1.2913 | -1.61 | 0 | 0.504 | -2.4019 |
| 3S3R_0IW | -1.0358 | -0.97 | 0 | 0.504 | -1.5028 |
| CHEMBL1242746 | -1.3699 | 2.768 | 0 | 0.42 | 1.8177 |
| CHEMBL1242747 | -1.561 | 1.431 | 0 | 0.336 | 0.206 |
Cyscore and Hydrophobic, Vdw (van der Waals), Hbond (hydrogen bond), and Ent (entropy) computed by Cyscore programs of 15 template ligands and two drug candidate compounds.