Name: Bisnorcymserine
Rating: 5 (10 reviews)

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HIT ID:HIT212712256
Cas No:219920-81-7
常用名:Bisnorcymserine
别名:N1-N8-Bisnorcymserine, N1N8Bisnorcymserine, N1 N8 Bisnorcymserine
别名:N1-N8-Bisnorcymserine, N1N8Bisnorcymserine, N1 N8 Bisnorcymserine
IUPAC:(3aS,8aR)-3a-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-[4-(propan-2-yl)phenyl]carbamate
IUPAC:(3aS,8aR)-3a-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-[4-(propan-2-yl)phenyl]carbamate
InChI key:ZIGIADNCAWZUAB-CTNGQTDRSA-N

分子式:C21H25N3O2
分子量:351.45
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:4.476797
SMILES:[H][C@]12NCC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1N2
SMILES:[H][C@]12NCC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1N2

Bisnorcymserine is a reversible inhibitor of butyrylcholinesterase. The leaving group, bisnoreseroline, interacts in a non-covalent way with Ser(200) and His(440), disrupting the existing interactions within the catalytic triad, and it stacks with Trp(84) at the bottom of the gorge, giving rise to an unprecedented hydrogen-bonding contact.

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