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- ChemComp-NZR: (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: NZR
NameName: (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide

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Chemical information

Composition
Formula: C14H13N5O2S / Number of atoms: 35 / Formula weight: 315.35 / Formal charge: 0
Others

7up2

Type: non-polymer / PDB classification: HETAIN / Three letter code: NZR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7UP2
History
Create componentApr 14, 2022
Initial releaseMar 8, 2023
External linksUniChem / ChemSpider / ChEMBL / 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

ACDLabs 12.01Cc1ccc(cc1)c1cccc(c1c1n[NH]nn1)S(N)(=O)=O
CACTVS 3.385Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C14H13N5O2S/c1-9-5-7-10(8-6-9)11-3-2-4-12(22(15,20)21)13(11)14-16-18-19-17-14/h2-8H,1H3,(H2,15,20,21)(H,16,17,18,19)

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InChIKey

InChI 1.03JNVRWMYBFOXGPS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
OpenEye OEToolkits 2.0.73-(4-methylphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)benzenesulfonamide

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PDB entries

Showing all 2 items

PDB-7up1:
NDM1-inhibitor co-structure

PDB-7up2:
NDM1-inhibitor co-structure

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