Reaction Details Report a problem with these data
Target
Rho-associated protein kinase 2
Ligand
BDBM571934
Substrate
n/a
Meas. Tech.
In Vitro Assays
IC50
45.0±n/a nM
Citation
 Vokits, BP; Shaw, SA Spiroheptanyl hydantoins as rock inhibitors US Patent  US11447487 Publication Date 9/20/2022 
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:
BDBM571934
Synonyms:
2-{[(alphaR)-6-[(4S)-4- [(2S)-butan-2-yl]- 2,5-dioxoimidazol- idin-1-yl]spiro- [3.3]heptan-2-yl]- oxy}pyridine-3- carboxamide | US11447487, Example 27
Type:
Small organic molecule
Emp. Form.:
C20H26N4O4
Mol. Mass.:
386.4448
SMILES:
CC[C@H](C)[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wU:2.2,wD:13.15,11.11,9.8,4.3,(1.13,8.62,;-.4,8.46,;-1.03,7.05,;-2.56,6.89,;-.12,5.81,;1.42,5.81,;1.89,4.34,;3.36,3.87,;.65,3.44,;.65,1.9,;-.44,.81,;.65,-.28,;1.73,-1.37,;.65,-2.46,;-.44,-1.37,;.65,-4,;-.69,-4.77,;-2.02,-4,;-3.36,-4.77,;-3.36,-6.31,;-2.02,-7.08,;-.69,-6.31,;.65,-7.08,;1.98,-6.31,;.65,-8.62,;1.73,.81,;-.6,4.34,;-2.07,3.87,)|
Structure:
Search PDB for entries with ligand similarity: