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Target
Enteropeptidase
Ligand
BDBM308542
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
Ki
1.53±n/a nM
Citation
 Koshiba, T; Tokumasu, M; Ichimaru, T; Ohsumi, K; Nakagawa, T; Yamada, T; Matsumoto, K; Suzuki, T Heteroarylcarboxylic acid ester derivative US Patent  US9655879 Publication Date 5/23/2017 
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:
BDBM308542
Synonyms:
US9655879, 78
Type:
Small organic molecule
Emp. Form.:
C24H29ClFN3O5S
Mol. Mass.:
526.021
SMILES:
Cl.CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:26.26,wD:29.33,(.36,-3.93,;-.19,-.18,;.58,1.15,;1.35,-.18,;-.75,1.92,;-2.09,1.15,;-2.56,-.31,;-4.1,-.31,;-4.58,1.15,;-3.33,2.06,;-5.91,1.92,;-5.91,3.46,;-7.25,1.15,;-7.25,-.39,;-5.91,-1.16,;-5.91,-2.7,;-7.25,-3.47,;-8.58,-2.7,;-8.58,-1.16,;-9.91,-.39,;-7.25,-5.01,;-5.91,-5.78,;-8.58,-5.78,;1.91,1.92,;1.91,3.46,;3.25,1.15,;4.58,1.93,;4.58,3.47,;5.91,4.23,;7.25,3.47,;7.25,1.93,;5.91,1.16,;8.58,4.24,;9.91,3.47,;8.58,5.78,)|
Structure:
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