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- ChemComp-DZQ: Olodaterol -

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Basic information

EntryDatabase: PDB chemical components / ID: DZQ
NameName: Olodaterol / Synonyms: 868049-49-4
Commentagonist*YM

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Chemical information

Composition
Formula: C21H26N2O5 / Number of atoms: 54 / Formula weight: 386.442 / Formal charge: 0
Others

8jjl

Type: non-polymer / PDB classification: HETAIN / Three letter code: DZQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8JJL
History
Create componentJun 6, 2023
Initial releaseSep 6, 2023
External linksUniChem / ChemSpider / ChEBI / ChemicalBook / DailyMed / DrugBank / GtoPharmacology / 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 3.385COc1ccc(CC(C)(C)NC[CH](O)c2cc(O)cc3NC(=O)COc23)cc1
OpenEye OEToolkits 2.0.7CC(C)(Cc1ccc(cc1)OC)NCC(c2cc(cc3c2OCC(=O)N3)O)O

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SMILES CANONICAL

CACTVS 3.385COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1
OpenEye OEToolkits 2.0.7CC(C)(Cc1ccc(cc1)OC)NC[C@@H](c2cc(cc3c2OCC(=O)N3)O)O

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InChI

InChI 1.06InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1

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InChIKey

InChI 1.06COUYJEVMBVSIHV-SFHVURJKSA-N

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PDB entries

Showing all 1 items

PDB-8jjl:
cryo-EM structure of the beta2-AR-mBRIL/1b3 Fab/Glue complex with a full agonist

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