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- ChemComp-BNL: BIPHENYL -

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Basic information

EntryDatabase: PDB chemical components / ID: BNL
NameName: biphenyl

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Chemical information

Composition
Formula: C12H10 / Number of atoms: 22 / Formula weight: 154.208 / Formal charge: 0
Others

2gbx

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BNL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2GBX
History
Create componentSep 15, 2003
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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 11.02c1cc(ccc1)c2ccccc2
CACTVS 3.352c1ccc(cc1)c2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2ccccc2

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SMILES CANONICAL

CACTVS 3.352c1ccc(cc1)c2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2ccccc2

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InChI

InChI 1.03InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H

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InChIKey

InChI 1.03ZUOUZKKEUPVFJK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 11.02biphenyl
OpenEye OEToolkits 1.6.11,1'-biphenyl

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PDB entries

Showing all 6 items

PDB-1ulj:
Biphenyl dioxygenase (BphA1A2) in complex with the substrate

PDB-2gbx:
Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1 Bound to Biphenyl

PDB-2xrx:
CRYSTAL STRUCTURE OF BIPHENYL DIOXYGENASE IN COMPLEX WITH BIPHENYL FROM BURKHOLDERIA XENOVORANS LB400

PDB-3gzx:
Crystal Structure of the Biphenyl Dioxygenase in complex with Biphenyl from Comamonas testosteroni Sp. Strain B-356

PDB-5aew:
Crystal structure of II9 variant of Biphenyl dioxygenase from Burkholderia xenovorans LB400 in complex with biphenyl

PDB-6u67:
Mcl-1 bound to compound 24

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