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- ChemComp-D4V: 3-methylpyridin-2-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: D4V
NameName: 3-methylpyridin-2-ol
Synonyms: (R)-N-[2-[1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER

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Chemical information

Composition
Formula: C6H7NO / Number of atoms: 15 / Formula weight: 109.126 / Formal charge: 0
Others

6bb7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: D4V / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6BB7
History
Create componentOct 18, 2017
Initial releaseOct 17, 2018
Modify synonymsJun 5, 2020
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 12.01c1nc(O)c(cc1)C
CACTVS 3.385Cc1cccnc1O
OpenEye OEToolkits 2.0.6Cc1cccnc1O

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SMILES CANONICAL

CACTVS 3.385Cc1cccnc1O
OpenEye OEToolkits 2.0.6Cc1cccnc1O

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InChI

InChI 1.03InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)

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InChIKey

InChI 1.03MVKDNXIKAWKCCS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-methylpyridin-2-ol
OpenEye OEToolkits 2.0.63-methylpyridin-2-ol

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PDB entries

Showing all 2 items

PDB-5s8h:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00964e (space group C2)

PDB-6bb7:
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methyl-1,2-dihydropyridin-2-one

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