Complexes after comparative docking

Receptor: model based on 4RFW 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
3RB_A_3 0.000 8.1 0.7 95.3 (2E,4E,6Z,8E)-3,7-DIMETHYL-8-(6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-YLIDENE)OCTA-2,4,6-TRIENOIC ACID 4RFW Raw