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- ChemComp-WW7: N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: WW7
NameName: N-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide

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Chemical information

Composition
Formula: C16H21ClN2O2S / Number of atoms: 43 / Formula weight: 340.868 / Formal charge: 0
Others

1mux

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: WW7 / Model coordinates PDB-ID: 1MUX
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / DrugBank / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 10.04O=S(=O)(c1cccc2c1cccc2Cl)NCCCCCCN
CACTVS 3.341NCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12
OpenEye OEToolkits 1.5.0c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN

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SMILES CANONICAL

CACTVS 3.341NCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12
OpenEye OEToolkits 1.5.0c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN

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InChI

InChI 1.03InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2

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InChIKey

InChI 1.03IDEHCMNLNCJQST-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide
OpenEye OEToolkits 1.5.0N-(6-aminohexyl)-5-chloro-naphthalene-1-sulfonamide

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PDB entries

Showing all 4 items

PDB-1mux:
SOLUTION NMR STRUCTURE OF CALMODULIN/W-7 COMPLEX: THE BASIS OF DIVERSITY IN MOLECULAR RECOGNITION, 30 STRUCTURES

PDB-2kfx:
Structure of the N-terminal domain of human cardiac troponin C bound to calcium ion and to the inhibitor W7

PDB-2krd:
Solution Structure of the Regulatory Domain of Human Cardiac Troponin C in Complex with the Switch Region of cardiac Troponin I and W7

PDB-6mv3:
NMR structure of the cNTnC-cTnI chimera bound to calcium desensitizer W7

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