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Yorodumi- ChemComp-3N6: N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3N6 | ||||
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Name | Name: Synonyms: Olcegepant Wikipedia | Wikipedia - Olcegepant: Olcegepant (INN, code name BIBN-4096BS) is a calcitonin gene-related peptide receptor antagonist being studied as a potential treatment for migraines.
| A 2013 meta-analysis found olcegepant and telcagepant were effective and safe compared to placebo. Comment | antagonist*YM | |
-Chemical information
Composition | Formula: C38H47Br2N9O5 / Number of atoms: 101 / Formula weight: 869.645 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3N6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3N7R | ||||||||
History |
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External links | UniChem / BindingDB / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | |
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-PDB entries
Showing all 3 items
PDB-3n7r:
Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism
PDB-3n7s:
Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism
PDB-6zis:
Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor