PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 29070696-3 2017 Previously, we discovered two classes of GRK2-selective inhibitors, one stemming from GSK180736A, a Rho-associated coiled-coil containing kinase 1 (ROCK1) inhibitor, the other from paroxetine, a selective serotonin-reuptake inhibitor. Paroxetine 181-191 G protein-coupled receptor kinase 2 Homo sapiens 41-45 29070696-8 2017 To investigate how these two warheads dictate selectivity, we determined the crystal structures of three of the indazole hybrid compounds (CCG224061, CCG257284, and CCG258748) in complex with GRK2-Gbetagamma Comparison of these structures with those of analogous benzodioxole-containing complexes confirmed that the indazole-paroxetine hybrids form stronger interactions with the hinge of the kinase but also stabilize a distinct conformation of the kinase domain of GRK2 compared with previous complexes with paroxetine analogs. Paroxetine 325-335 G protein-coupled receptor kinase 2 Homo sapiens 192-196 29070696-8 2017 To investigate how these two warheads dictate selectivity, we determined the crystal structures of three of the indazole hybrid compounds (CCG224061, CCG257284, and CCG258748) in complex with GRK2-Gbetagamma Comparison of these structures with those of analogous benzodioxole-containing complexes confirmed that the indazole-paroxetine hybrids form stronger interactions with the hinge of the kinase but also stabilize a distinct conformation of the kinase domain of GRK2 compared with previous complexes with paroxetine analogs. Paroxetine 510-520 G protein-coupled receptor kinase 2 Homo sapiens 192-196