Target
Glutathione S-transferase P/Rho-associated protein kinase 1 [1-535]
Ligand
BDBM258592
Substrate
n/a
Meas. Tech.
Competition Binding Assay
Temperature
298.15±n/a K
IC50
290±n/a nM
Comments
extracted
Citation
 Akama, TJarnagin, KZhang, YZhou, YPlattner, JJSullivan, DC Boron-containing small molecules US Patent  US9493490 Publication Date 11/15/2016 
Target
Name:
Glutathione S-transferase P/Rho-associated protein kinase 1 [1-535]
Synonyms:
GST-Rho-associated protein kinase 1 (ROCK1)
Type:
Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Glutathione S-transferase P
Synonyms:
FAEES3 | GST class-pi | GST3 | GSTP1 | GSTP1-1 | GSTP1_HUMAN | Glutathione S-transferase | Glutathione S-transferase (GST) | Glutathione S-transferase P | Glutathione S-transferase Pi | Glutathione transferase (GST)
Type:
Enzyme
Mol. Mass.:
23353.53
Organism:
Homo sapiens (Human)
Description:
P09211
Residue:
210
Sequence:
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
  
Component 2
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:
BDBM258592
Synonyms:
US9493490, 6-(4-(Aminomethyl)-2-chlorophenoxy)-7-ethylbenzo[c][1,2]oxaborol-1(3H)-ol | US9493490, A | US9493490, Example 1
Type:
Small organic molecule
Emp. Form.:
C16H17BClNO3
Mol. Mass.:
317.575
SMILES:
CCc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1Cl
Structure:
Search PDB for entries with ligand similarity: