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- ChemComp-NPX: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: NPX
NameName: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid / Synonyms: (R)-Naproxen

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Chemical information

Composition
Formula: C14H14O3 / Number of atoms: 31 / Formula weight: 230.259 / Formal charge: 0
Others

2vdb

Type: non-polymer / PDB classification: HETAIN / Three letter code: NPX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2VDB
History
Create componentOct 4, 2007
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsNov 3, 2011
Modify synonymsMar 1, 2021
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 12.01O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
CACTVS 3.370COc1ccc2cc(ccc2c1)[CH](C)C(O)=O
OpenEye OEToolkits 1.7.2CC(c1ccc2cc(ccc2c1)OC)C(=O)O

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SMILES CANONICAL

CACTVS 3.370COc1ccc2cc(ccc2c1)[C@@H](C)C(O)=O
OpenEye OEToolkits 1.7.2C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O

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InChI

InChI 1.03InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1

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InChIKey

InChI 1.03CMWTZPSULFXXJA-SECBINFHSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid
OpenEye OEToolkits 1.7.2(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid

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PDB entries

Showing all 5 items

PDB-3q7d:
Structure of (R)-naproxen bound to mCOX-2.

PDB-3ufy:
AKR1C3 complex with R-naproxen

PDB-6vcj:
Crystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen

PDB-7at3:
Structure of EstD11 in complex with Naproxen and methanol

PDB-7at4:
Structure of EstD11 in complex with Naproxen

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