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Table 2 Inference of ligand binding affinity to TINAGL1.

From: TINAGL1 and B3GALNT1 are potential therapy target genes to suppress metastasis in non-small cell lung cancer

  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
  1. 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.