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- ChemComp-4D9: 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: Synonyms: (R)-2-[(Benzo[b]thiophene-2-carbonyl)-amino]-3-(1H-benzoimidazol-2-yl)-propionic acid |
-Chemical information
Composition | |||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4D9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KAF | ||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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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
![](data/pdb/img/3kaf.jpg)
PDB-3kaf:
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors