| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: EDO_A_4(3T3U) / Model_10(3T3U/A) = [3.2]
| Download | 276.91 | 55.23 | MGQEVSSVNNTKNEHHKTNKKSLKGGNERHEMKESSVGISKKIVENSFNNSKLRPGMFIQNSNVVFNEQYKGIKILGKGSFGEVILSRDKHTGHEYAIKVISKKHVKRKTDKESLLREVELLKMLDHINIMKLYEFFEDNNYYYLVSDVYTGGELFDEIISRKRFYEIDAARIIKQILSGITYMHKNNVVHRDLKPENILLETKNKEDMIIKIIDFGLSTHFEYSKKMKDKIGTAYYIAPDVLHGTYDEKCDIWSCGVILYILLSGCPPFNGSNEYDILKKVEAGKYTFDLPQFKKISDKAKDLIKKMLMYTSAVRISARDALEHEWIKMMTSKDNLNIDIPSLELSIANIRQFQSTQKLAQAALLYMGSKLTTIDETKELTKIFKKMDKNGDGQLDRNELIIGYKELLKLKGEDTSDLDNAAIEYEVDQILNSIDLDQNGYIEYSEFLTVSIDRKLLLSTERLEKAFKLFDKDGSGKISANELAQLFGLSDVSSECWKTVLKEVDQNNDGEIDFKEFRDMLVKLCNY |
| Complex: DKI_A_2(2W4O) / Model_52(2W4O/A) = [3.4]
| Download | 1330.39 | 18.66 | MGQEVSSVNNTKNEHHKTNKKSLKGGNERHEMKESSVGISKKIVENSFNNSKLRPGMFIQNSNVVFNEQYKGIKILGKGSFGEVILSRDKHTGHEYAIKVISKKHVKRKTDKESLLREVELLKMLDHINIMKLYEFFEDNNYYYLVSDVYTGGELFDEIISRKRFYEIDAARIIKQILSGITYMHKNNVVHRDLKPENILLETKNKEDMIIKIIDFGLSTHFEYSKKMKDKIGTAYYIAPDVLHGTYDEKCDIWSCGVILYILLSGCPPFNGSNEYDILKKVEAGKYTFDLPQFKKISDKAKDLIKKMLMYTSAVRISARDALEHEWIKMMTSKDNLNIDIPSLELSIANIRQFQSTQKLAQAALLYMGSKLTTIDETKELTKIFKKMDKNGDGQLDRNELIIGYKELLKLKGEDTSDLDNAAIEYEVDQILNSIDLDQNGYIEYSEFLTVSIDRKLLLSTERLEKAFKLFDKDGSGKISANELAQLFGLSDVSSECWKTVLKEVDQNNDGEIDFKEFRDMLVKLCNY |
| Complex: ANP_A_7(3LIJ) / Model_33(3LIJ/A) = [4.0]
| Download | 1173.45 | 17.35 | MGQEVSSVNNTKNEHHKTNKKSLKGGNERHEMKESSVGISKKIVENSFNNSKLRPGMFIQNSNVVFNEQYKGIKILGKGSFGEVILSRDKHTGHEYAIKVISKKHVKRKTDKESLLREVELLKMLDHINIMKLYEFFEDNNYYYLVSDVYTGGELFDEIISRKRFYEIDAARIIKQILSGITYMHKNNVVHRDLKPENILLETKNKEDMIIKIIDFGLSTHFEYSKKMKDKIGTAYYIAPDVLHGTYDEKCDIWSCGVILYILLSGCPPFNGSNEYDILKKVEAGKYTFDLPQFKKISDKAKDLIKKMLMYTSAVRISARDALEHEWIKMMTSKDNLNIDIPSLELSIANIRQFQSTQKLAQAALLYMGSKLTTIDETKELTKIFKKMDKNGDGQLDRNELIIGYKELLKLKGEDTSDLDNAAIEYEVDQILNSIDLDQNGYIEYSEFLTVSIDRKLLLSTERLEKAFKLFDKDGSGKISANELAQLFGLSDVSSECWKTVLKEVDQNNDGEIDFKEFRDMLVKLCNY |
| Complex: DB8_A_2(3SOA) / Model_37(3SOA/A) = [4.0]
| Download | 1806.38 | 20.10 | MGQEVSSVNNTKNEHHKTNKKSLKGGNERHEMKESSVGISKKIVENSFNNSKLRPGMFIQNSNVVFNEQYKGIKILGKGSFGEVILSRDKHTGHEYAIKVISKKHVKRKTDKESLLREVELLKMLDHINIMKLYEFFEDNNYYYLVSDVYTGGELFDEIISRKRFYEIDAARIIKQILSGITYMHKNNVVHRDLKPENILLETKNKEDMIIKIIDFGLSTHFEYSKKMKDKIGTAYYIAPDVLHGTYDEKCDIWSCGVILYILLSGCPPFNGSNEYDILKKVEAGKYTFDLPQFKKISDKAKDLIKKMLMYTSAVRISARDALEHEWIKMMTSKDNLNIDIPSLELSIANIRQFQSTQKLAQAALLYMGSKLTTIDETKELTKIFKKMDKNGDGQLDRNELIIGYKELLKLKGEDTSDLDNAAIEYEVDQILNSIDLDQNGYIEYSEFLTVSIDRKLLLSTERLEKAFKLFDKDGSGKISANELAQLFGLSDVSSECWKTVLKEVDQNNDGEIDFKEFRDMLVKLCNY |
| Complex: GOL_A_12(3HX4) / Model_3(3HX4/A) = [4.3]
| Download | 202.39 | 9.67 | MGQEVSSVNNTKNEHHKTNKKSLKGGNERHEMKESSVGISKKIVENSFNNSKLRPGMFIQNSNVVFNEQYKGIKILGKGSFGEVILSRDKHTGHEYAIKVISKKHVKRKTDKESLLREVELLKMLDHINIMKLYEFFEDNNYYYLVSDVYTGGELFDEIISRKRFYEIDAARIIKQILSGITYMHKNNVVHRDLKPENILLETKNKEDMIIKIIDFGLSTHFEYSKKMKDKIGTAYYIAPDVLHGTYDEKCDIWSCGVILYILLSGCPPFNGSNEYDILKKVEAGKYTFDLPQFKKISDKAKDLIKKMLMYTSAVRISARDALEHEWIKMMTSKDNLNIDIPSLELSIANIRQFQSTQKLAQAALLYMGSKLTTIDETKELTKIFKKMDKNGDGQLDRNELIIGYKELLKLKGEDTSDLDNAAIEYEVDQILNSIDLDQNGYIEYSEFLTVSIDRKLLLSTERLEKAFKLFDKDGSGKISANELAQLFGLSDVSSECWKTVLKEVDQNNDGEIDFKEFRDMLVKLCNY |
Consensus
[pKd Mean = 3.78] | - | 957
(s=622) | 24
(s=15) | MGQEVSSVNNTKNEHHKTNKKSLKGGNERHEMKESSVGISKKIVENSFNNSKLRPGMFIQNSNVVFNEQYKGIKILGKGSFGEVILSRDKHTGHEYAIKVISKKHVKRKTDKESLLREVELLKMLDHINIMKLYEFFEDNNYYYLVSDVYTGGELFDEIISRKRFYEIDAARIIKQILSGITYMHKNNVVHRDLKPENILLETKNKEDMIIKIIDFGLSTHFEYSKKMKDKIGTAYYIAPDVLHGTYDEKCDIWSCGVILYILLSGCPPFNGSNEYDILKKVEAGKYTFDLPQFKKISDKAKDLIKKMLMYTSAVRISARDALEHEWIKMMTSKDNLNIDIPSLELSIANIRQFQSTQKLAQAALLYMGSKLTTIDETKELTKIFKKMDKNGDGQLDRNELIIGYKELLKLKGEDTSDLDNAAIEYEVDQILNSIDLDQNGYIEYSEFLTVSIDRKLLLSTERLEKAFKLFDKDGSGKISANELAQLFGLSDVSSECWKTVLKEVDQNNDGEIDFKEFRDMLVKLCNY |