Chemical Components in the PDB

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PDBeChem : Molecule Descriptor

 Molecule : TA1

Encoding of molecule in descriptor string

Name

SMILES

Program

OpenEye OEToolkits

Version

1.5.0

Name

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C