+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J3D |
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Name | Name: |
-Chemical information
Composition | Formula: C4H7NO4S / Number of atoms: 17 / Formula weight: 165.168 / Formal charge: 0 | ||||||
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Others | Type: L-peptide linking / PDB classification: ATOMP / Three letter code: J3D / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6EAX / Parent comp.: CYS | ||||||
History |
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External links | UniChem / PubChem / SureChEMBL / ChemSpider / 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 2.0.6 | |
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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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | ( | |
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-PDB entries
Showing all 1 items
PDB-6eax:
Crystallographic structure of the cyclic hexapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21