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- ChemComp-7P0: N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamin... -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: |
-Chemical information
Composition | |||||
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Others | Type: non-polymer / PDB classification: HETAIN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4CRB / Subcomponent: 7DM, PHE, BXR | ||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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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 2 items
![](data/pdb/img/4crb.jpg)
PDB-4crb:
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
![](data/pdb/img/5e2p.jpg)
PDB-5e2p:
FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide