Chemical Components in the PDB

pdbe.org/chem
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PDBeChem : Molecule Descriptor

 Molecule : A

Encoding of molecule in descriptor string

Name

Canonical SMILES

Program

OpenEye OEToolkits

Version

1.5.0

Name

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N