Chemical Components in the PDB

pdbe.org/chem
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PDBeChem : Molecule Descriptor

 Molecule : MTX

Encoding of molecule in descriptor string

Name

SMILES

Program

ACDLabs

Version

10.04

Name

O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3N)N)CCC(=O)O