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- ChemComp-RY2: (3-(1H-tetrazol-5-yl)phenyl)boronic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: RY2
NameName: (3-(1H-tetrazol-5-yl)phenyl)boronic acid
Synonyms: [3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid; 3-(1H-Tetrazol-5-yl)phenylboronic Acid; 3-(2H-Tetrazol-5-yl)-phenyl-boronic acid; 3-(TETRAZOL-5-YL)PHENYLBORONIC ACID; Boronic acid,B-[3- ...Synonyms: [3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid; 3-(1H-Tetrazol-5-yl)phenylboronic Acid; 3-(2H-Tetrazol-5-yl)-phenyl-boronic acid; 3-(TETRAZOL-5-YL)PHENYLBORONIC ACID; Boronic acid,B-[3-(2H-tetrazol-5-yl)phenyl]-

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Chemical information

Composition
Formula: C7H7BN4O2 / Number of atoms: 21 / Formula weight: 189.967 / Formal charge: 0
Others

7atm

Type: non-polymer / PDB classification: HETAIN / Three letter code: RY2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ATM
History
Create componentOct 31, 2020
Initial releaseAug 11, 2021
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / 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

CACTVS 3.385OB(O)c1cccc(c1)c2n[nH]nn2
OpenEye OEToolkits 2.0.7B(c1cccc(c1)c2n[nH]nn2)(O)O

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SMILES CANONICAL

CACTVS 3.385OB(O)c1cccc(c1)c2n[nH]nn2
OpenEye OEToolkits 2.0.7B(c1cccc(c1)c2n[nH]nn2)(O)O

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InChI

InChI 1.03InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)

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InChIKey

InChI 1.03XMJKBDSKRITXBW-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7atm:
Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (Compound 1)

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