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Target
Mitogen-activated protein kinase kinase kinase 13
Ligand
BDBM50059190
Substrate
n/a
Meas. Tech.
ChEMBL_2279203
IC50
3.0±n/a nM
Citation
 Craig, RA; Fox, BM; Hu, C; Lexa, KW; Osipov, M; Thottumkara, AP; Larhammar, M; Miyamoto, T; Rana, A; Kane, LA; Yulyaningsih, E; Solanoy, H; Nguyen, H; Chau, R; Earr, T; Kajiwara, Y; Fleck, D; Lucas, A; Haddick, PCG; Takahashi, RH; Tong, V; Wang, J; Canet, MJ; Poda, SB; Scearce-Levie, K; Srivastava, A; Sweeney, ZK; Xu, M; Zhang, R; He, J; Lei, Y; Zhuo, Z; de Vicente, J Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis. J Med Chem 65:16290-16312 (2022) [PubMed] 
Target
Name:
Mitogen-activated protein kinase kinase kinase 13
Synonyms:
LZK | Leucine zipper-bearing kinase | M3K13_HUMAN | MAP3K13 | MLK | Mixed lineage kinase
Type:
PROTEIN
Mol. Mass.:
108293.85
Organism:
Homo sapiens (Human)
Description:
ChEMBL_774445
Residue:
966
Sequence:
MANFQEHLSCSSSPHLPFSESKTFNGLQDELTAMGNHPSPKLLEDQQEKGMVRTELIESVHSPVTTTVLTSVSEDSRDQFENSVLQLREHDESETAVSQGNSNTVDGESTSGTEDIKIQFSRSGSGSGGFLEGLFGCLRPVWNIIGKAYSTDYKLQQQDTWEVPFEEISELQWLGSGAQGAVFLGKFRAEEVAIKKVREQNETDIKHLRKLKHPNIIAFKGVCTQAPCYCIIMEYCAHGQLYEVLRAGRKITPRLLVDWSTGIASGMNYLHLHKIIHRDLKSPNVLVTHTDAVKISDFGTSKELSDKSTKMSFAGTVAWMAPEVIRNEPVSEKVDIWSFGVVLWELLTGEIPYKDVDSSAIIWGVGSNSLHLPVPSTCPDGFKILMKQTWQSKPRNRPSFRQTLMHLDIASADVLATPQETYFKSQAEWREEVKKHFEKIKSEGTCIHRLDEELIRRRREELRHALDIREHYERKLERANNLYMELSAIMLQLEMREKELIKREQAVEKKYPGTYKRHPVRPIIHPNAMEKLMKRKGVPHKSGMQTKRPDLLRSEGIPTTEVAPTASPLSGSPKMSTSSSKSRYRSKPRHRRGNSRGSHSDFAAILKNQPAQENSPHPTYLHQAQSQYPSLHHHNSLQQQYQQPPPAMSQSHHPRLNMHGQDIATCANNLRYFGPAAALRSPLSNHAQRQLPGSSPDLISTAMAADCWRSSEPDKGQAGPWGCCQADAYDPCLQCRPEQYGSLDIPSAEPVGRSPDLSKSPAHNPLLENAQSSEKTEENEFSGCRSESSLGTSHLGTPPALPRKTRPLQKSGDDSSEEEEGEVDSEVEFPRRQRPHRCISSCQSYSTFSSENFSVSDGEEGNTSDHSNSPDELADKLEDRLAEKLDDLLSQTPEIPIDISSHSDGLSDKECAVRRVKTQMSLGKLCVEERGYENPMQFEESDCDSSDGECSDATVRTNKHYSSATW
  
Inhibitor
Name:
BDBM50059190
Synonyms:
CHEMBL3393333
Type:
Small organic molecule
Emp. Form.:
C23H26F2N6O
Mol. Mass.:
440.4889
SMILES:
FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Structure:
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