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- ChemComp-8K3: 3-(2-azanylethyl)-1H-indole-5-carboxamide -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 8K3
NameName: 3-(2-azanylethyl)-1H-indole-5-carboxamide
Commentneurotransmitter, agonist*YM

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Chemical information

Composition
Formula: C11H13N3O / Number of atoms: 28 / Formula weight: 203.24 / Formal charge: 0
OthersType: non-polymer / PDB classification: HETAIN / Three letter code: 8K3 / Ideal coordinates details: Corina
History
Create componentMar 8, 2022
Initial releaseJul 20, 2022
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / GtoPharmacology / HMDB / 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 3.385NCCc1c[nH]c2ccc(cc12)C(N)=O
OpenEye OEToolkits 2.0.7c1cc2c(cc1C(=O)N)c(c[nH]2)CCN

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SMILES CANONICAL

CACTVS 3.385NCCc1c[nH]c2ccc(cc12)C(N)=O
OpenEye OEToolkits 2.0.7c1cc2c(cc1C(=O)N)c(c[nH]2)CCN

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InChI

InChI 1.03InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)

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InChIKey

InChI 1.03WKZLNEWVIAGNAW-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-7um5:
CryoEM structure of Go-coupled 5-HT5AR in complex with 5-CT

PDB-7x5h:
Serotonin 5A (5-HT5A) receptor-Gi protein complex

PDB-7xtc:
Serotonin 7 (5-HT7) receptor-Gs-Nb35 complex

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