BioVanguard - MYC Receptor Affinity Dashboard

Ligand Input

SDF Ligand

SDF

Drop SDF Here

Or Choose A Local Ligand File

C-Myc Binding Site

3D

SDF Coordinate Data Will Appear Here

Upload Or Drop An SDF File To View Molecular Structure Data

Sample Ligands

Target

C-Myc Binding Site

3D

Interactive 3D Visualization

Upload A Ligand To View Its Docked Pose Within The C-Myc Receptor Binding Pocket

Rotate

Pan

Zoom

Prediction Results

Ensemble Score

--

kcal/mol

--

Best model ensemble

GNN Prediction

--

kcal/mol

XGBoost Prediction

--

kcal/mol

Model Diagnostics

--

Agreement --

Model Spread --

Uncertainty Band --

GNN Residual --

XGB Residual --

Pose RMSD -- A

Binding Residues

--

Run A Prediction To Inspect Contact Residues.

Molecular Properties

MW --

LogP --

HBD --

HBA --

TPSA --

QED --

Drug-Likeness Assessment

--

Lipinski (Ro5) --

--

Veber --

--

Ghose --

--

PAINS --

--

Brenk --

--

QED --

--