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Yorodumi- ChemComp-0QB: (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cycloh... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0QB |
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Name | Name: ( Synonyms: P2-P3 butanediamide renin inhibitor (3) |
-BIRD information
Type | Peptide-like / Inhibitor |
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Downloads | Molecular definition / Chemical definition |
-Chemical information
Composition | Formula: C36H54N6O5S / Number of atoms: 102 / Formula weight: 682.916 / Formal charge: 0 | ||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0QB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1BIM / Model coordinates details: not provided | ||||||||||
History |
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External links | UniChem / PubChem / PubChem_TPharma / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.352 | |
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-SMILES CANONICAL
CACTVS 3.352 |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.6.1 | ( | |
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-PDB entries
Showing all 1 items
PDB-1bim:
CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS