Map the 15 compounds onto natural ligands in the PDB using the ROCS shape comparison application[1], then identify putative binding sites using COFACTOR[2].
Current Results| Compound | Uniprot ID | Binding Score | Source (PDB or model) |
| Chlorprothixene_hydrochloride | P91020 | 1.6273 | 1qwk_A |
| Chlorprothixene_hydrochloride | O62305 | 1.3561 | 3kl8_A |
| Chlorprothixene_hydrochloride | P53014 | 1.2780 | MODEL |
| Chlorprothixene_hydrochloride | Q09284 | 1.2009 | MODEL |
| Cyproheptadine | P34891 | 1.5179 | MODEL |
| Cyproheptadine | O44578 | 1.4641 | MODEL |
| Cyproheptadine | P34697 | 1.4227 | 3kbf_A |
| Cyproheptadine | P34461 | 1.3679 | MODEL |
| Cyproheptadine | P91020 | 1.2728 | 1qwk_A |
| Cyproheptadine | Q09284 | 1.2009 | MODEL |
| Cyproheptadine | O17933 | 1.1677 | MODEL |
| Cyproheptadine | O17930 | 1.1553 | MODEL |
| Cyproheptadine | O02151 | 1.1289 | MODEL |
| Cyproheptadine | O44514 | 1.1257 | MODEL |
| Cyproheptadine | O02213 | 1.1152 | MODEL |
| Cyproheptadine | P55955 | 1.1102 | MODEL |
| Cyproheptadine | Q03575 | 1.1074 | MODEL |
| Cyproheptadine | O16425 | 1.1041 | MODEL |
| Loxapine_succinate | P53014 | 1.2780 | MODEL |
| Loxapine_succinate | Q09284 | 1.2009 | MODEL |
| Mianserin | O62305 | 1.7111 | 3kk9_A |
| Mianserin | Q23551 | 1.6187 | 3uto_A |
| Mianserin | P43510 | 1.4590 | MODEL |
| Mianserin | P43508 | 1.4434 | MODEL |
| Mianserin | P42169 | 1.3032 | MODEL |
| Mianserin | P43509 | 1.3000 | MODEL |
| Mianserin | P42168 | 1.2375 | MODEL |
| Mianserin | P43507 | 1.1603 | MODEL |
| Mirtazepine | O62305 | 1.3775 | 3kk9_A |
| Mirtazepine | Q23551 | 1.3128 | 1koa_A |
| Mirtazepine | P91020 | 1.1625 | 1qwk_A |
| Octoclothepin | P34697 | 1.4227 | 3kbf_A |
| Octoclothepin | P53014 | 1.2780 | MODEL |
| Octoclothepin | Q09284 | 1.2009 | MODEL |
| Pergolide_methanesulfonate | P18334 | 1.7703 | MODEL |