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- ChemComp-7M0: 5,6-DIBROMOBENZOTRIAZOLE -

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Basic information

EntryDatabase: PDB chemical components / ID: 7M0
NameName: 5,6-dibromobenzotriazole / Synonyms: DIBROMO-2-BENZOTRIAZOLE

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Chemical information

Composition
Formula: C6H3Br2N3 / Number of atoms: 14 / Formula weight: 276.916 / Formal charge: 0
Others

5ts8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7M0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5TS8
History
Create componentNov 18, 2016
Modify nameDec 2, 2016
Initial releaseJan 17, 2018
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / 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 3.385Brc1cc2[nH]nnc2cc1Br
OpenEye OEToolkits 2.0.6c1c2c(cc(c1Br)Br)nn[nH]2

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SMILES CANONICAL

CACTVS 3.385Brc1cc2[nH]nnc2cc1Br
OpenEye OEToolkits 2.0.6c1c2c(cc(c1Br)Br)nn[nH]2

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InChI

InChI 1.03InChI=1S/C6H3Br2N3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)

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InChIKey

InChI 1.03DULRVLLMOREPRG-UHFFFAOYSA-N

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PDB entries

Showing all 6 items

PDB-5ts8:
Z. MAYS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE

PDB-6tlp:
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE

PDB-7qgb:
H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 6.5

PDB-7qgc:
H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 5.5

PDB-7qgd:
H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 8.5

PDB-9r57:
Crystal structure of human protein kinase CK2 catalytic subunit (isoenzyme ck2alpha'; CSNK2A2 gene product) in complex with 5,6-dibromo-1H-1,2,3-benzotriazole

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