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- ChemComp-ADM: ADAMANTANE -

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Basic information

EntryDatabase: PDB chemical components / ID: ADM
NameName: adamantane

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Chemical information

Composition
Formula: C10H16 / Number of atoms: 26 / Formula weight: 136.234 / Formal charge: 0
Others

4cpp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ADM / Model coordinates PDB-ID: 4CPP
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04C1C2CC3CC1CC(C2)C3
CACTVS 3.341C1C2CC3CC1CC(C2)C3
OpenEye OEToolkits 1.5.0C1C2CC3CC1CC(C2)C3

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SMILES CANONICAL

CACTVS 3.341C1C2CC3CC1CC(C2)C3
OpenEye OEToolkits 1.5.0C1C2CC3CC1CC(C2)C3

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InChI

InChI 1.03InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+

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InChIKey

InChI 1.03ORILYTVJVMAKLC-YNFQOJQRSA-N

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SYSTEMATIC NAME

ACDLabs 10.04tricyclo[3.3.1.1~3,7~]decane
OpenEye OEToolkits 1.5.0adamantane

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PDB entries

Showing all 4 items

PDB-3cp4:
CRYSTAL STRUCTURE OF THE CYTOCHROME P450-CAM ACTIVE SITE MUTANT THR252ALA

PDB-4cpp:
CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION

PDB-4lkl:
Crystal structure of Plk1 Polo-box domain in complex with PL-55

PDB-6uab:
Human Mcl-1 in complex with a modified unnatural Bim BH3 peptide

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