Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase kinase 2
Ligand
BDBM50043416
Substrate
n/a
Meas. Tech.
ChEMBL_1445036 (CHEMBL3372968)
IC50
>100000±n/a nM
Citation
 Goodwin, NC; Cianchetta, G; Burgoon, HA; Healy, J; Mabon, R; Strobel, ED; Allen, J; Wang, S; Hamman, BD; Rawlins, DB Discovery of a Type III Inhibitor of LIM Kinase 2 That Binds in a DFG-Out Conformation. ACS Med Chem Lett 6:53-7 (2015) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase kinase kinase kinase 2
Synonyms:
2.7.11.1 | B lymphocyte serine/threonine-protein kinase | GC kinase | GCK | Germinal center kinase | M4K2_HUMAN | MAP4K2 | MAPK/ERK kinase kinase kinase 2 | MEK kinase kinase 2 | MEKKK 2 | RAB8IP | Rab8-interacting protein
Type:
n/a
Mol. Mass.:
91551.35
Organism:
Human
Description:
n/a
Residue:
820
Sequence:
MALLRDVSLQDPRDRFELLQRVGAGTYGDVYKARDTVTSELAAVKIVKLDPGDDISSLQQEITILRECRHPNVVAYIGSYLRNDRLWICMEFCGGGSLQEIYHATGPLEERQIAYVCREALKGLHHLHSQGKIHRDIKGANLLLTLQGDVKLADFGVSGELTASVAKRRSFIGTPYWMAPEVAAVERKGGYNELCDVWALGITAIELGELQPPLFHLHPMRALMLMSKSSFQPPKLRDKTRWTQNFHHFLKLALTKNPKKRPTAEKLLQHPFTTQQLPRALLTQLLDKASDPHLGTPSPEDCELETYDMFPDTIHSRGQHGPAERTPSEIQFHQVKFGAPRRKETDPLNEPWEEEWTLLGKEELSGSLLQSVQEALEERSLTIRSASEFQELDSPDDTMGTIKRAPFLGPLPTDPPAEEPLSSPPGTLPPPPSGPNSSPLLPTAWATMKQREDPERSSCHGLPPTPKVHMGACFSKVFNGCPLRIHAAVTWIHPVTRDQFLVVGAEEGIYTLNLHELHEDTLEKLISHRCSWLYCVNNVLLSLSGKSTHIWAHDLPGLFEQRRLQQQVPLSIPTNRLTQRIIPRRFALSTKIPDTKGCLQCRVVRNPYTGATFLLAALPTSLLLLQWYEPLQKFLLLKNFSSPLPSPAGMLEPLVLDGKELPQVCVGAEGPEGPGCRVLFHVLPLEAGLTPDILIPPEGIPGSAQQVIQVDRDTILVSFERCVRIVNMQGEPTATLAPELTFDFPIETVVCLQDSVLAFWSHGMQGRSLDTNEVTQEITDETRIFRVLGAHRDIILESIPTDNPEAHSNLYILTGHQSTY
  
Inhibitor
Name:
BDBM50043416
Synonyms:
CHEMBL3355482
Type:
Small organic molecule
Emp. Form.:
C21H20N2O3S
Mol. Mass.:
380.46
SMILES:
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Structure:
Search PDB for entries with ligand similarity: