Complexes after comparative docking

Receptor: model based on 4PLV 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
NAI_D_11 0.000 9.1 0.98 100.0 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE 4PLV Raw
2OP_D_12 0.000 2.5 0.57 76.2 (2S)-2-HYDROXYPROPANOIC ACID 4PLV Raw