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- ChemComp-AMR: 3,5-DIAMINO-N-(AMINOIMINOMETHYL)-6-CHLOROPYRAZINECARBOXAMIDE -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: AMR
NameName: 3,5-diamino-N-(aminoiminomethyl)-6-chloropyrazinecarboxamide
Synonyms: AMILORIDE

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Chemical information

Composition
Formula: C6H8ClN7O / Number of atoms: 23 / Formula weight: 229.627 / Formal charge: 0
Others

1f5l

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AMR / Model coordinates PDB-ID: 1F5L
History
Create componentJul 18, 2000
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / CompTox / DrugBank / GtoPharmacology / HMDB / PubChem / SureChEMBL / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04Clc1nc(C(=O)NC(=[N@H])N)c(nc1N)N
CACTVS 3.341NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
OpenEye OEToolkits 1.5.0c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N

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SMILES CANONICAL

CACTVS 3.341NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
OpenEye OEToolkits 1.5.0c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N

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InChI

InChI 1.03InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)

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InChIKey

InChI 1.03XSDQTOBWRPYKKA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide
OpenEye OEToolkits 1.5.03,5-diamino-N-carbamimidoyl-6-chloro-pyrazine-2-carboxamide

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PDB entries

Showing all 4 items

PDB-1f5l:
UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN-AMILORIDE COMPLEX

PDB-23jz:
pre-miR-6074 internal loop in complex with amiloride (Form 1)

PDB-23ka:
pre-miR-6074 internal loop in complex with amiloride (Form 2)

PDB-4ntx:
Structure of acid-sensing ion channel in complex with snake toxin and amiloride

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