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Yorodumi- ChemComp-JBW: 5-(4-cyano-2-methyl-1H-benzimidazol-1-yl)-N-cyclopropylthiophene-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JBW |
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Name | Name: |
-Chemical information
Composition | Formula: C17H14N4OS / Number of atoms: 37 / Formula weight: 322.384 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: JBW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4CQ8 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4cq8:
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with Genz-669178