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Target
Rho-associated protein kinase 1 [1-535]
Ligand
BDBM598540
Substrate
n/a
Meas. Tech.
Determination of Compound's ROCK Inhibitory Activity In Vitro (Z'Lyte Assay)
IC50
36.0±n/a nM
Citation
 Skucas, E; Liu, KG; Kim, J; Poyurovsky, MV; Mo, R Inhibitors of RHO associated coiled-coil containing protein kinase US Patent  US11613531 Publication Date 3/28/2023 
Target
Name:
Rho-associated protein kinase 1 [1-535]
Synonyms:
ROCK1 | ROCK1_HUMAN | Rho-associated protein kinase 1 (ROCK1)
Type:
Enzyme
Mol. Mass.:
62220.48
Organism:
Homo sapiens (Human)
Description:
aa 1-535
Residue:
535
Sequence:
MSTGDSFETRFEKMDNLLRDPKSEVNSDCLLDGLDALVYDLDFPALRKNKNIDNFLSRYKDTINKIRDLRMKAEDYEVVKVIGRGAFGEVQLVRHKSTRKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDKSGHLKLADFGTCMKMNKEGMVRCDTAVGTPDYISPEVLKSQGGDGYYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPDDNDISKEAKNLICAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDLSSDIDTSNFDDLEEDKGEEETFPIPKAFVGNQLPFVGFTYYSNRRYLSSANPNDNRTSSNADKSLQESLQKTIYKLEEQLHNEMQLKDEMEQKCRTSNIKLDKIMKELDEEGNQRRNLESTVSQIEKEKMLLQHRINEYQRKAEQENEKRRNVENEVSTLKDQLEDLKKVSQNSQL
  
Inhibitor
Name:
BDBM598540
Synonyms:
2-(3-ethyl-1,4-diazepan-1-yl)-N-(4-(pyridin-4-yl)phenyl)pyrimidin-4-amine | US11613531, Example 248
Type:
Small organic molecule
Emp. Form.:
C22H26N6
Mol. Mass.:
374.482
SMILES:
CCC1CN(CCCN1)c1nccc(Nc2ccc(cc2)-c2ccncc2)n1
Structure:
Search PDB for entries with ligand similarity: