Skip to main content
. 2019 Jun 6;10(7):1145–1159. doi: 10.1039/c9md00102f

Table 2. SiteHopper similarity scores and the percentages of matched hydrophobic and aromatic interaction field grid points by IsoMIF for selected active site pairs.

Site 1 (PDB-ID, ligand-ID) Site 2 (PDB-ID, ligand-ID) SiteHopper scores
IsoMIF
PatchScore Shape-Tanimoto Color-Tanimoto Matched % hyd, % aro
1gs4, ZK5 3tc5, 3T5 0.56 0.24 0.10 62.5, 18.8
4j7u, YTZ 4iz0, 2BI 0.69 0.35 0.11 45.2, 35.5
1m8d, H4B 4a9e, 3PF 0.69 0.36 0.11 65.0, 10.0
3k6l, 2BB 2jih, 097 0.93 0.32 0.20 50.0, 0.0
4hkn, LU2 2nnl, ERD 0.87 0.33 0.10 56.8, 29.5
3lm5, QUE 2nnl, ERD 0.68 0.36 0.10 64.3, 0.0
4dgm, AGI 2nnl, ERD 0.75 0.33 0.14 73.0, 10.8
4dgm, AGI 4hmh, F94 0.75 0.38 0.12 63.6, 21.2
4hl5, 15W 1xo2, FSE 0.74 0.36 0.13 53.3, 16.7