Complexes after comparative docking

Receptor: model based on 1I30 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
NAD_E_5 0.000 8.0 1 74.8 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 1I30 Raw
826_I_9 0.000 2.9 0.38 56.3 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE 1I30 Raw