Reaction Details Report a problem with these data
Target
Dual specificity mitogen-activated protein kinase kinase 5
Ligand
BDBM473178
Substrate
n/a
Meas. Tech.
Kinase Assay
Kd
52±n/a nM
Citation
 Mansour, TS; Evans, CE 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions US Patent  US10844038 Publication Date 11/24/2020 
Target
Name:
Dual specificity mitogen-activated protein kinase kinase 5
Synonyms:
MAP kinase kinase 5 | MAP2K5 | MAPK/ERK kinase 5 | MAPKK 5 | MEK5 | MKK5 | MP2K5_HUMAN | PRKMK5
Type:
PROTEIN
Mol. Mass.:
50110.16
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1495740
Residue:
448
Sequence:
MLWLALGPFPAMENQVLVIRIKIPNSGAVDWTVHSGPQLLFRDVLDVIGQVLPEATTTAFEYEDEDGDRITVRSDEEMKAMLSYYYSTVMEQQVNGQLIEPLQIFPRACKPPGERNIHGLKVNTRAGPSQHSSPAVSDSLPSNSLKKSSAELKKILANGQMNEQDIRYRDTLGHGNGGTVYKAYHVPSGKILAVKVILLDITLELQKQIMSELEILYKCDSSYIIGFYGAFFVENRISICTEFMDGGSLDVYRKMPEHVLGRIAVAVVKGLTYLWSLKILHRDVKPSNMLVNTRGQVKLCDFGVSTQLVNSIAKTYVGTNAYMAPERISGEQYGIHSDVWSLGISFMELALGRFPYPQIQKNQGSLMPLQLLQCIVDEDSPVLPVGEFSEPFVHFITQCMRKQPKERPAPEELMGHPFIVQFNDGNAAVVSMWVCRALEERRSQQGPP
  
Inhibitor
Name:
BDBM473178
Synonyms:
US10844038, Example 39 | US10844038, Example 40 | trans 1-((4-(Benzyloxy)-1,2-dithiolan-3-yl)methyl)-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Type:
Small organic molecule
Emp. Form.:
C28H25N5O2S2
Mol. Mass.:
527.66
SMILES:
Nc1ncnc2n(CC3SSCC3OCc3ccccc3)nc(-c3ccc(Oc4ccccc4)cc3)c12
Structure:
Search PDB for entries with ligand similarity: