Complexes after comparative docking

Receptor: model based on 2CKE chain:D
& 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
IQU_D_8 0.000 4.3 0.69 52.3 N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE 2CKE Raw