Complexes after comparative docking

Receptor: model based on 1LKL 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
PHS_B_4 0.000 3.9 0.72 82.2 PHOSPHONIC ACID 1LKL Raw
CHAIN_B_2 0.000 3.4 0.52 0.8 PHOSPHOTYROSYL PEPTIDE AC-PTYR-GLU-GLU-GLY 1LKL Raw
ACE_B_3 0.000 3.4 0.43 18.6 ACETYL GROUP 1LKL Raw