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- ChemComp-BJM: (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicy... -
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Open data
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Basic information
Entry | ![]() | ||
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Name | Name: ( Synonyms: Saxagliptin, bound form Comment | inhibitor*YM | |
-Chemical information
Composition | |||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BJM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3BJM | ||||||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
![](data/pdb/img/3bjm.jpg)
PDB-3bjm:
Crystal structure of human DPP-IV in complex with (1S,3S, 5S)-2-[(2S)-2-AMINO-2-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1- YL)ACETYL]-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (CAS), (1S,3S,5S)-2-((2S)-2-AMINO-2-(3-HYDROXYADAMANTAN-1- YL)ACETYL)-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (IUPAC), OR BMS-477118