Chemical Components in the PDB

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PDBeChem : Molecule Descriptor

 Molecule : 1AK

Encoding of molecule in descriptor string

Name

Canonical SMILES

Program

OpenEye OEToolkits

Version

1.7.6

Name

CS(=O)(=O)c1ccc(nc1)c2nnc(n2c3ccccc3Cl)/C=C/c4nnc(o4)c5ccc(cc5)C#N