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Yorodumi- ChemComp-MT1: N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZO... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: MT1 | ||
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Name | Name: Synonyms: METHOTREXATE PROTONATED AT N1 Comment | chemotherapy*YM | |
-Chemical information
Composition | Formula: C20H23N8O5 / Number of atoms: 56 / Formula weight: 455.447 / Formal charge: 1 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MT1 | ||||||
History |
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External links | UniChem / ChemSpider / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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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
PDB-2inq:
Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate
PDB-4ocx:
Fab complex with methotrexate
PDB-7xtx:
High resolution crystal structure of human macrophage migration inhibitory factor in complex with methotrexate