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Target
Mitogen-activated protein kinase kinase kinase kinase 2
Ligand
BDBM51829
Substrate
n/a
Meas. Tech.
Dose Response Confirmation Screen via Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Mutant
EC50
7060±n/a nM
Citation
 PubChem, PC Dose Response Confirmation Screen via Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Mutant PubChem Bioassay (2009)[AID] 
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:
Homo sapiens (Human)
Description:
n/a
Residue:
820
Sequence:
MALLRDVSLQDPRDRFELLQRVGAGTYGDVYKARDTVTSELAAVKIVKLDPGDDISSLQQEITILRECRHPNVVAYIGSYLRNDRLWICMEFCGGGSLQEIYHATGPLEERQIAYVCREALKGLHHLHSQGKIHRDIKGANLLLTLQGDVKLADFGVSGELTASVAKRRSFIGTPYWMAPEVAAVERKGGYNELCDVWALGITAIELGELQPPLFHLHPMRALMLMSKSSFQPPKLRDKTRWTQNFHHFLKLALTKNPKKRPTAEKLLQHPFTTQQLPRALLTQLLDKASDPHLGTPSPEDCELETYDMFPDTIHSRGQHGPAERTPSEIQFHQVKFGAPRRKETDPLNEPWEEEWTLLGKEELSGSLLQSVQEALEERSLTIRSASEFQELDSPDDTMGTIKRAPFLGPLPTDPPAEEPLSSPPGTLPPPPSGPNSSPLLPTAWATMKQREDPERSSCHGLPPTPKVHMGACFSKVFNGCPLRIHAAVTWIHPVTRDQFLVVGAEEGIYTLNLHELHEDTLEKLISHRCSWLYCVNNVLLSLSGKSTHIWAHDLPGLFEQRRLQQQVPLSIPTNRLTQRIIPRRFALSTKIPDTKGCLQCRVVRNPYTGATFLLAALPTSLLLLQWYEPLQKFLLLKNFSSPLPSPAGMLEPLVLDGKELPQVCVGAEGPEGPGCRVLFHVLPLEAGLTPDILIPPEGIPGSAQQVIQVDRDTILVSFERCVRIVNMQGEPTATLAPELTFDFPIETVVCLQDSVLAFWSHGMQGRSLDTNEVTQEITDETRIFRVLGAHRDIILESIPTDNPEAHSNLYILTGHQSTY
  
Inhibitor
Name:
BDBM51829
Synonyms:
1-[[1-(4-chlorobenzyl)pyrrol-2-yl]methyl]-1-(3-pyrrolidinopropyl)-3-[3-(trifluoromethyl)phenyl]thiourea | 1-[[1-[(4-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-[3-(1-pyrrolidinyl)propyl]-3-[3-(trifluoromethyl)phenyl]thiourea | 1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-(3-pyrrolidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea | MLS000683673 | N-{[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N-(3-pyrrolidin-1-ylpropyl)-N'-[3-(trifluoromethyl)phenyl]thiourea | SMR000311830 | cid_16189402
Type:
Small organic molecule
Emp. Form.:
C27H30ClF3N4S
Mol. Mass.:
535.067
SMILES:
FC(F)(F)c1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1
Structure:
Search PDB for entries with ligand similarity: