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Yorodumi- ChemComp-KYJ: (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methy... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: KYJ |
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Name | Name: ( |
-Chemical information
Composition | Formula: C26H20N4O4 / Number of atoms: 54 / Formula weight: 452.461 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KYJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6NRJ | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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 2.0.7 | ( | |
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-PDB entries
Showing all 1 items
PDB-6nrj:
Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT93