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- ChemComp-BN1: (S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-... -

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Basic information

EntryDatabase: PDB chemical components / ID: BN1
NameName: (S)-2-amino-3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5-yl)isoxazol-4-yl]propionic acid
Synonyms: 2-ME-TET-AMPA

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Chemical information

Composition
Formula: C8H10N6O4 / Number of atoms: 28 / Formula weight: 254.203 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: BN1
History
Create componentJul 11, 2002
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / PubChem / PubChem_TPharma / 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=C(O)C(N)Cc1c(onc1O)c2nn(nn2)C
CACTVS 3.341Cn1nnc(n1)c2onc(O)c2CC(N)C(O)=O
OpenEye OEToolkits 1.5.0Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341Cn1nnc(n1)c2onc(O)c2CC(N)C(O)=O
OpenEye OEToolkits 1.5.0Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N

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InChI

InChI 1.03InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)

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InChIKey

InChI 1.03YXLQKZHKWIKJKC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-[3-hydroxy-5-(2-methyl-2H-tetrazol-5-yl)isoxazol-4-yl]alanine
OpenEye OEToolkits 1.5.02-amino-3-[3-hydroxy-5-(2-methyl-1,2,3,4-tetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid

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PDB entries

Showing all 1 items

PDB-1m5b:
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH 2-Me-Tet-AMPA AT 1.85 A RESOLUTION.

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