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- ChemComp-ESP: THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE -

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Basic information

EntryDatabase: PDB chemical components / ID: ESP
NameName: thieno[2,3-B]pyridine-2-carboxamidine

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Chemical information

Composition
Formula: C8H8N3S / Number of atoms: 20 / Formula weight: 178.234 / Formal charge: 1
Others

1c5t

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ESP / Model coordinates PDB-ID: 1C5T
History
Create componentJan 14, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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 10.04n1cccc2c1sc(c2)\C(=[NH2+])N
CACTVS 3.341NC(=[NH2+])c1sc2ncccc2c1
OpenEye OEToolkits 1.5.0c1cc2cc(sc2nc1)C(=[NH2+])N

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SMILES CANONICAL

CACTVS 3.341NC(=[NH2+])c1sc2ncccc2c1
OpenEye OEToolkits 1.5.0c1cc2cc(sc2nc1)C(=[NH2+])N

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InChI

InChI 1.03InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1

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InChIKey

InChI 1.03GZEJMYFXZMUAEC-UHFFFAOYSA-O

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SYSTEMATIC NAME

ACDLabs 10.04amino(thieno[2,3-b]pyridin-2-yl)methaniminium
OpenEye OEToolkits 1.5.0(amino-thieno[5,4-b]pyridin-2-yl-methylidene)azanium

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PDB entries

Showing all 3 items

PDB-1c5t:
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR

PDB-1c5u:
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR

PDB-1c5y:
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR

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