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- ChemComp-MXM: 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothia... -

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Basic information

EntryDatabase: PDB chemical components / ID: MXM
NameName: 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
Synonyms: Meloxicam
Commentantiinflammatory*YM

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Chemical information

Composition
Formula: C14H13N3O4S2 / Number of atoms: 36 / Formula weight: 351.401 / Formal charge: 0
Others

4m11

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MXM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4M11
History
Create componentAug 9, 2013
Initial releaseJan 22, 2014
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Metabolights / 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(Nc1ncc(s1)C)C3=C(O)c2ccccc2S(=O)(=O)N3C
CACTVS 3.385CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3sc(C)cn3
OpenEye OEToolkits 1.7.6Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O

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SMILES CANONICAL

CACTVS 3.385CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3sc(C)cn3
OpenEye OEToolkits 1.7.6Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O

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InChI

InChI 1.03InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)

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InChIKey

InChI 1.03ZRVUJXDFFKFLMG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
OpenEye OEToolkits 1.7.62-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxidanyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazine-3-carboxamide

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PDB entries

Showing all 2 items

PDB-4m11:
Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam

PDB-4o1z:
Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam

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