From: Mapping small molecule binding data to structural domains
Domain combination | PDBe | ratio | # ChEMBL targets |
---|---|---|---|
ADH_N, ADH_zinc_N | 1u3u [...] | 0.58, 0.33 | 21 |
DNA_topoisoIV, Toprim | 3qx3 | 0.32, 0.68 | 8 |
GST_C, GST_N | 3ee2 [...] | 0.62, 0.31 | 23 |
Hexokinase_1, Hexokinase_2 | 3goi [...] | 0.56, 0.39 | 14 |
Mur_ligase_C, Mur_ligase | 2am1 [...] | 0.36, 0.36 | 6 |
NMT, NMT_C | 1iyk [...] | 0.46, 0.41 | 6 |
OTCace, OTCace_N | 1oth | 0.50, 0.50 | 3 |
Peptidase_M4, Peptidase_M4_C | 1zdp [...] | 0.50, 0.50 | 2 |
Peptidase_S9, DPPIV_N | 3d4l [...] | 0.51, 0.43 | 10 |
Topoisom_I, Topo_C_assoc, Topoisom_I_N | 1k4t [...] | 0.35, 0.31, 0.35 | 5 |
S-AdoMet_synt_N, S-AdoMet_synt_C | 1o93 | 0.41, 0.43 | 2 |
Tubulin, Tubulin_C | 1ia0 | 0.30, 0.48 | 20 |