Project Summary METHOTREXATE - Bioactive Conformational Ensemble

Molecule information

Bioactive Conformational Ensemble ID	BAC0010647
Ligand ID	MTX
PDB ID	4DFR
Experiment Type	X-RAY DIFFRACTION
Resolution	1.7 Å
Subset(s)	Overall Benchmark

Molecule properties

Smiles

n1c(N)nc(N)c2nc(cnc12)CN(C)c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O

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Methotrexate (MTX) Summary