Complexes after comparative docking

Receptor: model based on 3K23 chain:B
& 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
JZN_B_8 0.000 11.6 0.84 68.0 1-{[3-(4-{[(2R)-4-(5-FLUORO-2-METHOXYPHENYL)-2-HYDROXY-4-METHYL-2-(TRIFLUOROMETHYL)PENTYL]AMINO}-6-METHYL-1H-INDAZOL-1-YL)PHENYL]CARBONYL}-D-PROLINAMIDE 3K23 Raw