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- ChemComp-LC9: 1H-indol-3-ylmethanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: LC9
NameName: 1H-indol-3-ylmethanamine

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Chemical information

Composition
Formula: C9H10N2 / Number of atoms: 21 / Formula weight: 146.189 / Formal charge: 0
Others

8a91

Type: non-polymer / PDB classification: HETAIN / Three letter code: LC9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8A91
History
Create componentJun 29, 2022
Modify atom idJun 29, 2022
Modify descriptorAug 22, 2022
Initial releaseJul 5, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChemicalBook / CompTox / HMDB / Metabolights / Nikkaji / PubChem / PubChem_TPharma / 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 3.385NCc1c[nH]c2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)CN

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SMILES CANONICAL

CACTVS 3.385NCc1c[nH]c2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)CN

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InChI

InChI 1.06InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2

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InChIKey

InChI 1.06JXYGLMATGAAIBU-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8a91:
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment

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