Reaction Details Report a problem with these data
Target
Enteropeptidase
Ligand
BDBM50595350
Substrate
n/a
Meas. Tech.
ChEMBL_2216354 (CHEMBL5129486)
IC50
1.6±n/a nM
Citation
 Ikeda, Z; Kakegawa, K; Kikuchi, F; Itono, S; Oki, H; Yashiro, H; Hiyoshi, H; Tsuchimori, K; Hamagami, K; Watanabe, M; Sasaki, M; Ishihara, Y; Tohyama, K; Kitazaki, T; Maekawa, T; Sasaki, M Design, Synthesis, and Biological Evaluation of a Novel Series of 4-Guanidinobenzoate Derivatives as Enteropeptidase Inhibitors with Low Systemic Exposure for the Treatment of Obesity. J Med Chem 65:8456-8477 (2022) [PubMed] 
Target
Name:
Enteropeptidase
Synonyms:
ENTK | ENTK_HUMAN | PRSS7 | TMPRSS15
Type:
Enzyme
Mol. Mass.:
112901.62
Organism:
Homo sapiens (Human)
Description:
P98073
Residue:
1019
Sequence:
MGSKRGISSRHHSLSSYEIMFAALFAILVVLCAGLIAVSCLTIKESQRGAALGQSHEARATFKITSGVTYNPNLQDKLSVDFKVLAFDLQQMIDEIFLSSNLKNEYKNSRVLQFENGSIIVVFDLFFAQWVSDENVKEELIQGLEANKSSQLVTFHIDLNSVDILDKLTTTSHLATPGNVSIECLPGSSPCTDALTCIKADLFCDGEVNCPDGSDEDNKMCATVCDGRFLLTGSSGSFQATHYPKPSETSVVCQWIIRVNQGLSIKLSFDDFNTYYTDILDIYEGVGSSKILRASIWETNPGTIRIFSNQVTATFLIESDESDYVGFNATYTAFNSSELNNYEKINCNFEDGFCFWVQDLNDDNEWERIQGSTFSPFTGPNFDHTFGNASGFYISTPTGPGGRQERVGLLSLPLDPTLEPACLSFWYHMYGENVHKLSINISNDQNMEKTVFQKEGNYGDNWNYGQVTLNETVKFKVAFNAFKNKILSDIALDDISLTYGICNGSLYPEPTLVPTPPPELPTDCGGPFELWEPNTTFSSTNFPNSYPNLAFCVWILNAQKGKNIQLHFQEFDLENINDVVEIRDGEEADSLLLAVYTGPGPVKDVFSTTNRMTVLLITNDVLARGGFKANFTTGYHLGIPEPCKADHFQCKNGECVPLVNLCDGHLHCEDGSDEADCVRFFNGTTNNNGLVRFRIQSIWHTACAENWTTQISNDVCQLLGLGSGNSSKPIFPTDGGPFVKLNTAPDGHLILTPSQQCLQDSLIRLQCNHKSCGKKLAAQDITPKIVGGSNAKEGAWPWVVGLYYGGRLLCGASLVSSDWLVSAAHCVYGRNLEPSKWTAILGLHMKSNLTSPQTVPRLIDEIVINPHYNRRRKDNDIAMMHLEFKVNYTDYIQPICLPEENQVFPPGRNCSIAGWGTVVYQGTTANILQEADVPLLSNERCQQQMPEYNITENMICAGYEEGGIDSCQGDSGGPLMCQENNRWFLAGVTSFGYKCALPNRPGVYARVSRFTEWIQSFLH
  
Inhibitor
Name:
BDBM50595350
Synonyms:
CHEMBL5182597
Type:
Small organic molecule
Emp. Form.:
C22H21F3N4O9
Mol. Mass.:
542.4187
SMILES:
OC(=O)C(F)(F)F.NC(=N)Nc1ccc(cc1)C(=O)Oc1cccc(CC(=O)N[C@@H](CC(O)=O)C(O)=O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: