National Center for
2HB1: Crystal Structure Of Ptp1b With Monocyclic Thiophene Inhibitor
Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: capturing interactions with Asp48
Bioorg. Med. Chem. Lett. (2006) 16 p.4941-4945
A series of monocyclic thiophenes was designed and synthesized as PTP1B inhibitors. Guided by X-ray co-crystal structural information and computational modeling, rational design led to key interactions with Asp48 and improved inhibitory potency against PTP1B.