Chemical Components in the PDB

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PDBeChem : Molecule Descriptor

 Molecule : 1AK

Encoding of molecule in descriptor string

Name

Canonical SMILES

Program

CACTVS

Version

3.370

Name

C[S](=O)(=O)c1ccc(nc1)c2nnc(\C=C\c3oc(nn3)c4ccc(cc4)C#N)n2c5ccccc5Cl