Complexes after comparative docking
Receptor: model based on 4RN0 chain:A
& Ligands found in homologous templates Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] -
Values:
Score for Scwrl (Unconserved side chains of binding site are recalculated) model :
|
Result |
RMS (ca) |
pKd Avg. |
Q |
PSim |
Ligand Name : |
Origin |
Transfer |
|
L6G_B_9 |
0.000 |
2.6 |
0.36 |
9.8 |
(5R,8S,11S)-5-METHYL-8-(PROPAN-2-YL)-11-[(1E)-4-SULFANYLBUT-1-EN-1-YL]-3,17-DITHIA-7,10,14,19,20-PENTAAZATRICYCLO[14.2.1.1~2,5~]ICOSA-1(18),2(20),16(19)-TRIENE-6,9,13-TRIONE |
4RN0 |
Raw |
|