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Yorodumi- ChemComp-BMB: (3S,6S,7R,9aS)-7-[2-(benzylamino)ethyl]-N-(diphenylmethyl)-6-{[(2... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BMB |
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Name | Name: ( |
-Chemical information
Composition | Formula: C37H47N5O3 / Number of atoms: 92 / Formula weight: 609.801 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BMB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3OZ1 | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | 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 12.01 | (OpenEye OEToolkits 1.7.0 | ( | |
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-PDB entries
Showing all 1 items
PDB-3oz1:
cIAP1-BIR3 domain in complex with the Smac-mimetic compound Smac066