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Yorodumi- ChemComp-1IB: N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)pheny... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 1IB | ||
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Name | Name: Comment | antagonist*YM | |
-Chemical information
Composition | Formula: C18H24F2N2O / Number of atoms: 47 / Formula weight: 322.393 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 1IB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7F61 | ||||
History |
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External links | BindingDB / UniChem / ChEMBL / DrugBank / Nikkaji / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7f61:
Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746