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Target
Rho-associated protein kinase 2
Ligand
BDBM510972
Substrate
n/a
Meas. Tech.
In Vitro Assay
IC50
13.6±n/a nM
Citation
 Glunz, PW; Ladziata, V; De Lucca, I; Tora, GO; Maishal, TK; Tangirala, R; Thiyagarajan, K 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK US Patent  US11673886 Publication Date 6/13/2023 
Target
Name:
Rho-associated protein kinase 2
Synonyms:
KIAA0619 | ROCK-II | ROCK2 | ROCK2_HUMAN | Rho kinase 2 (ROCKII) | Rho-associated protein kinase 2 (ROCK-2) | Rho-associated protein kinase 2 (ROCK2) | Rho-associated protein kinase 2 (ROCKII) | Rho-associated protein kinase 2/Transforming protein RhoA | Rho-associated, coiled-coil-containing protein kinase 2 | Rho-associated, coiled-coil-containing protein kinase II | Serine/threonine-protein kinase RIO2 | p164 ROCK-2
Type:
Protein
Mol. Mass.:
160885.43
Organism:
Homo sapiens (Human)
Description:
O75116
Residue:
1388
Sequence:
MSRPPPTGKMPGAPETAPGDGAGASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFLNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHGHLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQGGDGFYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIRQHPFFKNDQWHWDNIRETAAPVVPELSSDIDSSNFDDIEDDKGDVETFPIPKAFVGNQLPFIGFTYYRENLLLSDSPSCRETDSIQSRKNEESQEIQKKLYTLEEHLSNEMQAKEELEQKCKSVNTRLEKTAKELEEEITLRKSVESALRQLEREKALLQHKNAEYQRKADHEADKKRNLENDVNSLKDQLEDLKKRNQNSQISTEKVNQLQRQLDETNALLRTESDTAARLRKTQAESSKQIQQLESNNRDLQDKNCLLETAKLKLEKEFINLQSALESERRDRTHGSEIINDLQGRICGLEEDLKNGKILLAKVELEKRQLQERFTDLEKEKSNMEIDMTYQLKVIQQSLEQEEAEHKATKARLADKNKIYESIEEAKSEAMKEMEKKLLEERTLKQKVENLLLEAEKRCSLLDCDLKQSQQKINELLKQKDVLNEDVRNLTLKIEQETQKRCLTQNDLKMQTQQVNTLKMSEKQLKQENNHLMEMKMNLEKQNAELRKERQDADGQMKELQDQLEAEQYFSTLYKTQVRELKEECEEKTKLGKELQQKKQELQDERDSLAAQLEITLTKADSEQLARSIAEEQYSDLEKEKIMKELEIKEMMARHKQELTEKDATIASLEETNRTLTSDVANLANEKEELNNKLKDVQEQLSRLKDEEISAAAIKAQFEKQLLTERTLKTQAVNKLAEIMNRKEPVKRGNDTDVRRKEKENRKLHMELKSEREKLTQQMIKYQKELNEMQAQIAEESQIRIELQMTLDSKDSDIEQLRSQLQALHIGLDSSSIGSGPGDAEADDGFPESRLEGWLSLPVRNNTKKFGWVKKYVIVSSKKILFYDSEQDKEQSNPYMVLDIDKLFHVRPVTQTDVYRADAKEIPRIFQILYANEGESKKEQEFPVEPVGEKSNYICHKGHEFIPTLYHFPTNCEACMKPLWHMFKPPPALECRRCHIKCHKDHMDKKEEIIAPCKVYYDISTAKNLLLLANSTEEQQKWVSRLVKKIPKKPPAPDPFARSSPRTSMKIQQNQSIRRPSRQLAPNKPS
  
Inhibitor
Name:
BDBM510972
Synonyms:
5-(2,4-difluorophenyl)-N- [(4s)-6-({5-carbamoyl-1- methyl-1H-pyrazolo[3,4- b]pyridin-6- yl}oxy)spiro[3.3]heptan-2- yl]-1,3,4-thiadiazole-2- carboxamide | US11078197, Example 151 | US11673886, Example 151
Type:
Small organic molecule
Emp. Form.:
C24H21F2N7O3S
Mol. Mass.:
525.53
SMILES:
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nnc(s4)-c4ccc(F)cc4F)C3)nc12 |r,wD:12.11,14.13,16.18,(-4.8,-6.27,;-4.11,-7.65,;-4.83,-9.01,;-3.75,-10.12,;-2.37,-9.43,;-.94,-10,;.27,-9.04,;1.7,-9.61,;1.93,-11.13,;2.91,-8.65,;.04,-7.52,;1.13,-6.43,;1.13,-4.89,;2.22,-3.8,;1.13,-2.71,;.04,-1.62,;1.13,-.53,;2.22,-1.62,;1.13,1.01,;2.62,1.41,;3.71,.32,;3.02,2.89,;4.46,3.44,;4.38,4.98,;2.89,5.38,;2.05,4.09,;2.34,6.82,;.82,7.06,;.26,8.5,;1.23,9.69,;.68,11.13,;2.75,9.45,;3.31,8.02,;4.83,7.77,;.04,-3.8,;-1.39,-6.95,;-2.59,-7.91,)|
Structure:
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