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- ChemComp-ZK2: (2-methylphenyl)methanol -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: ZK2
NameName: (2-methylphenyl)methanol

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Chemical information

Composition
Formula: C8H10O / Number of atoms: 19 / Formula weight: 122.164 / Formal charge: 0
Others

8pku

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZK2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8PKU
History
Create componentJun 27, 2023
Initial releaseNov 15, 2023
External linksUniChem / ChemSpider / Brenda / ChemicalBook / CompTox / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 3.385Cc1ccccc1CO
OpenEye OEToolkits 2.0.7Cc1ccccc1CO

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SMILES CANONICAL

CACTVS 3.385Cc1ccccc1CO
OpenEye OEToolkits 2.0.7Cc1ccccc1CO

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InChI

InChI 1.06InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3

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InChIKey

InChI 1.06XPNGNIFUDRPBFJ-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-8pku:
Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC).

PDB-8pkv:
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 4 (ortho-WRCDPETGEC).

PDB-8pkw:
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 5 (ortho-WRCDPETaEC).

PDB-8pkx:
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC).

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