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Inhibitor Report for: 4-Oxo-beta-Lactam-B115

General
Type Piperazine
Chemical_Nomenclature ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
Canonical SMILES CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br
InChI InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32)
InChIKey OHVWTLFLVCPRSC-UHFFFAOYSA-N
Other name(s) S9W
________________________________________________________________________________________________
MW|500.43
Formula|C25H30BrN3O3
CAS_number|
PubChem|
UniChem|OHVWTLFLVCPRSC-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 4-Oxo-beta-Lactam-B115 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture | 1 structure: 7AYR: Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B115 (replaces 6T6U withdrawn)
Protein | human-DPP8

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