Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase 6
Ligand
BDBM50553815
Substrate
n/a
Meas. Tech.
ChEMBL_2047482 (CHEMBL4702181)
Kd
1300±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:
BDBM50553815
Synonyms:
CHEMBL4794701
Type:
Small organic molecule
Emp. Form.:
C18H21N7O2
Mol. Mass.:
367.405
SMILES:
COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12 |r,wU:19.23,wD:16.16,(44.83,-29.2,;43.32,-29.53,;42.86,-31,;43.9,-32.14,;43.43,-33.6,;41.92,-33.92,;40.89,-32.8,;41.35,-31.33,;41.46,-35.39,;42.37,-36.63,;41.47,-37.88,;40,-37.41,;38.66,-38.19,;37.33,-37.42,;37.33,-35.88,;36,-35.11,;36,-33.57,;37.33,-32.8,;37.34,-31.27,;36.01,-30.49,;34.67,-31.26,;34.66,-32.81,;36.01,-28.96,;37.35,-28.19,;34.68,-28.18,;38.66,-35.11,;39.99,-35.87,)|
Structure:
Search PDB for entries with ligand similarity: