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Inhibitor Report for: Tetrahydroisoquinoline-derivative

General
Type Isoquinoline, Carboxamide
Chemical_Nomenclature (3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Canonical SMILES C1C(N(CC2=CC=CC=C21)C(=O)CC(CC3=CC=CC=C3F)N)C(=O)N
InChI InChI=1S/C20H22FN3O2/c21-17-8-4-3-6-14(17)9-16(22)11-19(25)24-12-15-7-2-1-5-13(15)10-18(24)20(23)26/h1-8,16,18H,9-12,22H2,(H2,23,26)/t16-,18+/m1/s1
InChIKey OEVYDSSAPNIURZ-AEFFLSMTSA-N
Other name(s) (S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide ; CHEMBL381806 ; CHEBI:39484 ; (3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide ; (S)-2-[(R)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide ; 2buc ; 008
________________________________________________________________________________________________
MW|355.41
Formula|C20H22FN3O2
CAS_number|
PubChem|5494385
UniChem|OEVYDSSAPNIURZ-AEFFLSMTSA-N
IUPHAR|
Wikipedia|

Target
Families | Tetrahydroisoquinoline-derivative ligand of proteins in family: DPP4N_Peptidase_S9
Stucture | 1 structure: 2BUC: Crystal structure of porcine dipeptidyl peptidase IV (CD26) in complex with a tetrahydroisoquinoline inhibitor
Protein | pig-dpp4

References:
Search PubMed for references concerning: Tetrahydroisoquinoline-derivative
    Title: The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors
    Nordhoff S, Cerezo-Galvez S, Feurer A, Hill O, Matassa VG, Metz G, Rummey C, Thiemann M, Edwards PJ
    Ref: Bioorganic & Medicinal Chemistry Lett, 16:1744, 2006 : PubMed