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Yorodumi- ChemComp-4Q5: N-methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-h... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4Q5 | ||||
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Name | Name: Wikipedia | Wikipedia - Monomethyl auristatin E: Monomethyl auristatin E is a synthetic antineoplastic agent. Because of its toxicity, it cannot be used as a drug itself; instead, it is linked to a monoclonal antibody (MAB) which directs it to the cancer cells... | Comment | antineoplastic*YM | |
-BIRD information
Type | Peptide-like / Inhibitor |
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Downloads | Molecular definition / Chemical definition |
-Chemical information
Composition | Formula: C39H67N5O7 / Number of atoms: 118 / Formula weight: 717.979 / Formal charge: 0 | ||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: 4Q5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ZHQ / Subcomponent: MVA, VAL, 3WT, 3WU, NPU | ||||
History |
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External links | UniChem / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | ( | |
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