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Table 2 Details of top ten protein hits from PharmMapper pharmacophore mapping

From: Reverse pharmacophore mapping and molecular docking studies for discovery of GTPase HRas as promising drug target for bis-pyrimidine derivatives

S. no. Protein name PDB Id Disease No. of pharmacophore features Fitness score
1. Streptavidin 1SRE None 9 6.17
2. Non-specific lipid-transfer protein 1 1UVB None 7 6.105
3. UPF0230 protein TM_1468 1VPV None 7 5.822
4. Aspartate aminotransferase 1ASG None 9 5.443
5. GTPase HRas 5P21 Defects in HRAS are the cause of costello syndrome, tumor predisposition, congenital myopathy, Hurthle cell thyroid carcinoma, thyroid cancers Bladder cancer; oral squamous cell carcinoma (OSCC) 15 5.424
6. Palmitoyl-protein thioesterase 1 1EH5 None 6 5.421
7. Chorismate synthase 1QXO None 10 5.323
8. Tyrosine-protein phosphatase non-receptor type 1 1Q6N None 7 5.263
9. Phospho-N-ethanolamine methyltransferase 3UJ9 Malariae infection 9 5.255
10. Beta-lactoglobulin 1B0O None 6 5.245