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Target
Glutathione S-transferase P/Rho-associated protein kinase 2 [5-554]
Ligand
BDBM258597
Substrate
n/a
Meas. Tech.
Competition Binding Assay
Temperature
298.15±n/a K
IC50
510±n/a nM
Comments
extracted
Citation
 Akama, T; Jarnagin, K; Zhang, Y; Zhou, Y; Plattner, JJ; Sullivan, DC Boron-containing small molecules US Patent  US9493490 Publication Date 11/15/2016 
Target
Name:
Glutathione S-transferase P/Rho-associated protein kinase 2 [5-554]
Synonyms:
GST-Rho-associated protein kinase 2 (ROCK2)
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 2 [5-554]
Synonyms:
KIAA0619 | ROCK2 | ROCK2_HUMAN | Rho-associated protein kinase 2 (ROCK2)
Type:
Protein
Mol. Mass.:
63069.10
Organism:
Homo sapiens (Human)
Description:
aa 5-554
Residue:
550
Sequence:
PPTGKMPGAPETAPGDGAGASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFLNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHGHLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQGGDGFYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIRQHPFFKNDQWHWDNIRETAAPVVPELSSDIDSSNFDDIEDDKGDVETFPIPKAFVGNQLPFIGFTYYRENLLLSDSPSCRETDSIQSRKNEESQEIQKKLYTLEEHLSNEMQAKEELEQKCKSVNTRLEKTAKELEEEITLRKSVESALRQLEREKALLQHKNAEYQRKADHEADKKRNLENDVNSLKDQLEDLKKRNQNSQIST
  
Inhibitor
Name:
BDBM258597
Synonyms:
US9493490, Example 9 | US9493490, F
Type:
Small organic molecule
Emp. Form.:
C16H17BFNO3
Mol. Mass.:
301.12
SMILES:
C[C@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r|
Structure:
Search PDB for entries with ligand similarity: