Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase 6
Ligand
BDBM50553824
Substrate
n/a
Meas. Tech.
ChEMBL_2047483 (CHEMBL4702182)
Kd
160±n/a nM
Citation
 Grädler, U; Busch, M; Leuthner, B; Raba, M; Burgdorf, L; Lehmann, M; Linde, N; Esdar, C Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase 6
Synonyms:
ERK3 | MAPK6 | MK06_HUMAN | PRKM6
Type:
PROTEIN
Mol. Mass.:
82643.07
Organism:
Homo sapiens (Human)
Description:
ChEMBL_774367
Residue:
721
Sequence:
MAEKFESLMNIHGFDLGSRYMDLKPLGCGGNGLVFSAVDNDCDKRVAIKKIVLTDPQSVKHALREIKIIRRLDHDNIVKVFEILGPSGSQLTDDVGSLTELNSVYIVQEYMETDLANVLEQGPLLEEHARLFMYQLLRGLKYIHSANVLHRDLKPANLFINTEDLVLKIGDFGLARIMDPHYSHKGHLSEGLVTKWYRSPRLLLSPNNYTKAIDMWAAGCIFAEMLTGKTLFAGAHELEQMQLILESIPVVHEEDRQELLSVIPVYIRNDMTEPHKPLTQLLPGISREALDFLEQILTFSPMDRLTAEEALSHPYMSIYSFPMDEPISSHPFHIEDEVDDILLMDETHSHIYNWERYHDCQFSEHDWPVHNNFDIDEVQLDPRALSDVTDEEEVQVDPRKYLDGDREKYLEDPAFDTNYSTEPCWQYSDHHENKYCDLECSHTCNYKTRSSSYLDNLVWRESEVNHYYEPKLIIDLSNWKEQSKEKSDKKGKSKCERNGLVKAQIALEEASQQLAGKEREKNQGFDFDSFIAGTIQLSSQHEPTDVVDKLNDLNSSVSQLELKSLISKSVSQEKQEKGMANLAQLEALYQSSWDSQFVSGGEDCFFINQFCEVRKDEQVEKENTYTSYLDKFFSRKEDTEMLETEPVEDGKLGERGHEEGFLNNSGEFLFNKQLESIGIPQFHSPVGSPLKSIQATLTPSAMKSSPQIPHQTYSSILKHLN
  
Inhibitor
Name:
BDBM50553824
Synonyms:
CHEMBL4759319
Type:
Small organic molecule
Emp. Form.:
C17H21N7O
Mol. Mass.:
339.3949
SMILES:
COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:19.20,wD:16.16,(16.13,-43.94,;14.62,-44.27,;14.16,-45.74,;15.2,-46.88,;14.73,-48.34,;13.22,-48.66,;12.19,-47.54,;12.65,-46.07,;12.76,-50.13,;13.67,-51.37,;12.77,-52.62,;11.3,-52.15,;9.96,-52.93,;8.63,-52.16,;8.63,-50.62,;7.3,-49.85,;7.3,-48.31,;8.63,-47.55,;8.64,-46.01,;7.31,-45.24,;7.31,-43.7,;5.97,-46,;5.97,-47.55,;9.96,-49.85,;11.29,-50.61,)|
Structure:
Search PDB for entries with ligand similarity: