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Inhibitor Report for: NXC

The incorporation of a synthetic, catalytically competent metallo cofactor into a protein scaffold to generate an artificial metalloenzyme (ArM) lead to new activities specific of the cofactor


General
Type Organophosphate, Pincer-Metal-cofactor
Chemical_Nomenclature 3-[3,5-bis[(dimethylamino)methyl]benzene-4-id-1-yl]propyl-ethoxyphosphinic acid;chloroplatinum
Canonical SMILES CCOP(=O)(CCCC1=CC(=[C-]C(=C1)CN(C)C)CN(C)C)O.Cl[Pt]
InChI InChI=1S/C17H30N2O3P.ClH.Pt/c1-6-22-23(20,21)9-7-8-15-10-16(13-18(2)3)12-17(11-15)14-19(4)5;;/h10-11H,6-9,13-14H2,1-5H3,(H,20,21);1H;/q-1;;+1/p-1
InChIKey HKSIINDLAPYCJN-UHFFFAOYSA-M
Other name(s) (2,6-Bis[(Dimethylamino-Kappan)methyl]-4-{3-[(S)-Ethoxy(4-Nitrophenoxy)phosphoryl]propyl}phenyl-Kappac~1~)(Chloro)platinum(2+) ; NXC ; NCN-Pt-Pincer
________________________________________________________________________________________________
MW|571.94
Formula|C17H30ClN2O3PPt-
CAS_number|
PubChem|44129613
UniChem|HKSIINDLAPYCJN-UHFFFAOYSA-M
IUPHAR|
Wikipedia|

Target
Families | NXC ligand of proteins in family: Cutinase
Stucture | 3 structures: 3EF3, 3ESA, 3ESB
Protein | fusso-cutas

References:
Search PubMed for references concerning: NXC
    Title: Solid-state structural characterization of cutinase-ECE-pincer-metal hybrids
    Rutten L, Wieczorek B, Mannie JP, Kruithof CA, Dijkstra HP, Egmond MR, Lutz M, Klein Gebbink RJ, Gros P, van Koten G
    Ref: Chemistry, 15:4270, 2009 : PubMed

            

    Title: Lipase active-site-directed anchoring of organometallics: metallopincer/protein hybrids
    Kruithof CA, Casado MA, Guillena G, Egmond MR, van der Kerk-van Hoof A, Heck AJ, Klein Gebbink RJ, van Koten G
    Ref: Chemistry, 11:6869, 2005 : PubMed