Your session will expire in
60
seconds
Home
Bioactive subsets
Overall Benchmark
Search by Similarity
Search by Parameters
Browse Subset
Upload your own Trajectory
REST API
Help
Introduction
Browse / Search
Analysis
Molecule
Trajectories
PCA
Clusters
Dihedrals
QM
Upload your own Trajectory
REST API
My Workspace
Try it!
(4-benzyl-piperidin-1-yl)-(5-amidinomethyl-3ah-indol-2-yl-methanone (BPP) Summary
Home
(4-benzyl-piperidin-1-yl)-(5-amidinomethyl-3ah-indol-2-yl-methanone (BPP) Summary
Molecule information
Molecule
Trajectories
PCA
Clusters
Dihedrals
QM
Molecule information
Bioactive Conformational Ensemble ID
BAC0010562
Ligand ID
BPP
PDB ID
1D4P
Experiment Type
X-RAY DIFFRACTION
Resolution
2.07 Å
Subset(s)
Overall Benchmark
Molecule properties
View compound in
PubChem
SureChEMBL
ChEMBL
Smiles
c1(cc2c(cc1)[nH]c(c2)C(=O)N1CCC(CC1)Cc1ccccc1)C(=N)N
2D View
3D View
Visualize Structure
Enable / Disable Hydrogens
Visualize Ligand Interaction
This website uses cookies to ensure you get the best experience on our website.
Our Cookie Policy
Understand