Chemical Components in the PDB

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PDBeChem : Molecule Descriptor

 Molecule : 1JE

Encoding of molecule in descriptor string

Name

SMILES

Program

OpenEye OEToolkits

Version

1.7.6

Name

CCCC1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O