Project Summary COCAINE - Bioactive Conformational Ensemble

Molecule information

Bioactive Conformational Ensemble ID	BAC0010588
Ligand ID	COC
PDB ID	1I7Z
Experiment Type	X-RAY DIFFRACTION
Resolution	2.3 Å
Subset(s)	Overall Benchmark

Molecule properties

Smiles

COC(=O)[C@@H]1[C@@H]2N(C)[C@@H](CC2)C[C@@H]1OC(=O)c1ccccc1

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Cocaine (COC) Summary