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!
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide (S25) Summary
Home
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide (S25) Summary
Molecule information
Molecule
Trajectories
PCA
Clusters
Dihedrals
QM
Molecule information
Bioactive Conformational Ensemble ID
BAC0010644
Ligand ID
S25
PDB ID
3TKI
Experiment Type
X-RAY DIFFRACTION
Resolution
1.6 Å
Subset(s)
Overall Benchmark
Molecule properties
View compound in
PubChem
SureChEMBL
ChEMBL
BindingDB
Smiles
C1N(CCOC1)c1ccnc(c1)Nc1sc(c2cc(cnc2)C(=O)NCCN)cn1
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