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Yorodumi- ChemComp-4DH: 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)ca... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4DH |
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Name | Name: Synonyms: (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-5-phenyl-2H-pyrazole-3-carbonyl)-amino]-propionic acid |
-Chemical information
Composition | Formula: C21H19N5O3 / Number of atoms: 48 / Formula weight: 389.407 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4DH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KAH | ||||||||
History |
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External links | UniChem / Nikkaji / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 11.02 | CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 11.02 | OpenEye OEToolkits 1.6.1 | ( | |
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-PDB entries
Showing all 1 items
PDB-3kah:
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors