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- ChemComp-MT1: N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZO... -
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Open data
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Basic information
Entry | ![]() | ||||
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Name | Name: Synonyms: METHOTREXATE PROTONATED AT N1 Wikipedia | ![]()
Methotrexate , formerly known as amethopterin, is a chemotherapy agent and immune-system suppressant. It is used to treat cancer, autoimmune diseases, and ectopic pregnancies... Comment | chemotherapy*YM | |
-Chemical information
Composition | |||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MT1 | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | ( | |
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-PDB entries
Showing all 3 items
![](data/pdb/img/2inq.jpg)
PDB-2inq:
Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate
![](data/pdb/img/4ocx.jpg)
PDB-4ocx:
Fab complex with methotrexate
![](data/pdb/img/7xtx.jpg)
PDB-7xtx:
High resolution crystal structure of human macrophage migration inhibitory factor in complex with methotrexate