Table 8.
Enzyme | Ligands Ligand ID/(Synonyms) |
Coordinates of Grid Center |
---|---|---|
COX2 (Prostaglandin G/H synthase 2) (Mus musculus) PDB ID: 1PXX Resolution: 2.90 Å Reference: [23] |
2-[2-[(2,6-dichlorophenyl)amino]phenyl]ethanoic acid DIF Diclofenac |
X = 27,115 Y = 24,090 Z = 14,936 |
COX2 Prostaglandin G/H synthase 2 (Homo sapiens) PDB ID: 5IKQ Resolution: 2.41 Å Reference: [24] |
2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid 2- / JMS Meclofenamic Acid |
X = 21,597 Y = 51,876 Z = 17,696 |
Dihydrofolate reductase (Mycobacteroides abscessus ATCC 19977) PDB ID: 7K6C Resolution: 2.00 Å Reference: [25] |
3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid/ MMV |
X = -33,882 Y = −7502 Z = 56,281 |
Phosphoribosylaminoimidazole-succinocarboxamide synthase (Mycobacteroides abscessus ATCC 19977) PDB ID: 6YYB Resolution: 1.51 Å Reference: [26] |
4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile Q0Q |
X = 21,1853 Y = 14,726 Z = 34,7921 |
tRNA (guanine-N(1)-)-methyltransferase (Mycobacteroides abscessus) PDB ID: 6QR4 Resolution: 1.52 Å Reference: [27] |
zanyl-3-[1-[[(2~{R})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile JD8 |
X = -12,718 Y = 7688 Z = −27,062 |