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- ChemComp-OHB: salicylamide -

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Basic information

EntryDatabase: PDB chemical components / ID: OHB
NameName: salicylamide / Synonyms: 2-hydroxybenzamide

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Chemical information

Composition
Formula: C7H7NO2 / Number of atoms: 17 / Formula weight: 137.136 / Formal charge: 0
Others

4k17

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OHB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4K17
History
Create componentApr 10, 2013
Initial releaseOct 9, 2013
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / HMDB / NMRShiftDB / 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 12.01O=C(c1ccccc1O)N
CACTVS 3.370NC(=O)c1ccccc1O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)N)O

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SMILES CANONICAL

CACTVS 3.370NC(=O)c1ccccc1O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)N)O

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InChI

InChI 1.03InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)

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InChIKey

InChI 1.03SKZKKFZAGNVIMN-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-hydroxybenzamide
OpenEye OEToolkits 1.7.62-oxidanylbenzamide

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PDB entries

Showing all 4 items

PDB-4k17:
Crystal Structure of mouse CARMIL residues 1-668

PDB-5rsu:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002055

PDB-7dqh:
E. coli GyrB ATPase domain in complex with 2-hydroxybenzamide

PDB-7h9i:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z68590124 (CHIKV_MacB-x1445)

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