Chemical Components in the PDB

pdbe.org/chem
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PDBeChem : Molecule Descriptor

 Molecule : 13V

Encoding of molecule in descriptor string

Name

SMILES

Program

ACDLabs

Version

12.01

Name

O(C)CCOc3cnc(nc3c2c1cc(C#CC(O)(C)C)ccc1nc2)N