Chemical Components in the PDB

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PDBeChem : Molecule Descriptor

 Molecule : CA3

Encoding of molecule in descriptor string

Name

 SMILES

Program

OpenEye OEToolkits

Version

1.7.5

Name

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCCCCC(=O)NCCc4c[nH]c5c4cccc5)O