Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase kinase 3
Ligand
BDBM50552684
Substrate
n/a
Meas. Tech.
ChEMBL_2035334 (CHEMBL4689492)
IC50
130±n/a nM
Citation
 Degnan, AP; Kumi, GK; Allard, CW; Araujo, EV; Johnson, WL; Zimmermann, K; Pearce, BC; Sheriff, S; Futran, A; Li, X; Locke, GA; You, D; Morrison, J; Parrish, KE; Stromko, C; Murtaza, A; Liu, J; Johnson, BM; Vite, GD; Wittman, MD Discovery of Orally Active Isofuranones as Potent, Selective Inhibitors of Hematopoetic Progenitor Kinase 1. ACS Med Chem Lett 12:443-450 (2021) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase kinase kinase kinase 3
Synonyms:
M4K3_HUMAN | MAP4K3 | RAB8IPL1
Type:
PROTEIN
Mol. Mass.:
101331.91
Organism:
Homo sapiens (Human)
Description:
ChEMBL_586461
Residue:
894
Sequence:
MNPGFDLSRRNPQEDFELIQRIGSGTYGDVYKARNVNTGELAAIKVIKLEPGEDFAVVQQEIIMMKDCKHPNIVAYFGSYLRRDKLWICMEFCGGGSLQDIYHVTGPLSELQIAYVSRETLQGLYYLHSKGKMHRDIKGANILLTDNGHVKLADFGVSAQITATIAKRKSFIGTPYWMAPEVAAVERKGGYNQLCDLWAVGITAIELAELQPPMFDLHPMRALFLMTKSNFQPPKLKDKMKWSNSFHHFVKMALTKNPKKRPTAEKLLQHPFVTQHLTRSLAIELLDKVNNPDHSTYHDFDDDDPEPLVAVPHRIHSTSRNVREEKTRSEITFGQVKFDPPLRKETEPHHELPDSDGFLDSSEEIYYTARSNLDLQLEYGQGHQGGYFLGANKSLLKSVEEELHQRGHVAHLEDDEGDDDESKHSTLKAKIPPPLPPKPKSIFIPQEMHSTEDENQGTIKRCPMSGSPAKPSQVPPRPPPPRLPPHKPVALGNGMSSFQLNGERDGSLCQQQNEHRGTNLSRKEKKDVPKPISNGLPPTPKVHMGACFSKVFNGCPLKIHCASSWINPDTRDQYLIFGAEEGIYTLNLNELHETSMEQLFPRRCTWLYVMNNCLLSISGKASQLYSHNLPGLFDYARQMQKLPVAIPAHKLPDRILPRKFSVSAKIPETKWCQKCCVVRNPYTGHKYLCGALQTSIVLLEWVEPMQKFMLIKHIDFPIPCPLRMFEMLVVPEQEYPLVCVGVSRGRDFNQVVRFETVNPNSTSSWFTESDTPQTNVTHVTQLERDTILVCLDCCIKIVNLQGRLKSSRKLSSELTFDFQIESIVCLQDSVLAFWKHGMQGRSFRSNEVTQEISDSTRIFRLLGSDRVVVLESRPTDNPTANSNLYILAGHENSY
  
Inhibitor
Name:
BDBM50552684
Synonyms:
CHEMBL4749598
Type:
Small organic molecule
Emp. Form.:
C26H29N5O4
Mol. Mass.:
475.5396
SMILES:
CCCNC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: