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Target
Serine protease hepsin
Ligand
BDBM14152
Substrate
BDBM13573
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants
Ki
1800±n/a nM
Citation
 Katz, BA; Luong, C; Ho, JD; Somoza, JR; Gjerstad, E; Tang, J; Williams, SR; Verner, E; Mackman, RL; Young, WB; Sprengeler, PA; Chan, H; Mortara, K; Janc, JW; McGrath, ME Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J Mol Biol 344:527-47 (2004) [PubMed]  Article 
Target
Name:
Serine protease hepsin
Synonyms:
HEPS_HUMAN | HPN | Hepsin | Serine protease hepsin | TMPRSS1 | Transmembrane protease serine 11E | Transmembrane protease, serine 1
Type:
Enzyme
Mol. Mass.:
45016.98
Organism:
Homo sapiens (Human)
Description:
Human deglycosylated hepsin was expressed in Pichia pastoris.
Residue:
417
Sequence:
MAQKEGGRTVPCCSRPKVAALTAGTLLLLTAIGAASWAIVAVLLRSDQEPLYPVQVSSADARLMVFDKTEGTWRLLCSSRSNARVAGLSCEEMGFLRALTHSELDVRTAGANGTSGFFCVDEGRLPHTQRLLEVISVCDCPRGRFLAAICQDCGRRKLPVDRIVGGRDTSLGRWPWQVSLRYDGAHLCGGSLLSGDWVLTAAHCFPERNRVLSRWRVFAGAVAQASPHGLQLGVQAVVYHGGYLPFRDPNSEENSNDIALVHLSSPLPLTEYIQPVCLPAAGQALVDGKICTVTGWGNTQYYGQQAGVLQEARVPIISNDVCNGADFYGNQIKPKMFCAGYPEGGIDACQGDSGGPFVCEDSISRTPRWRLCGIVSWGTGCALAQKPGVYTKVSDFREWIFQAIKTHSEASGMVTQL
  
Inhibitor
Name:
BDBM14152
Synonyms:
6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE | APC-10302 | CA-14 | CRA-10302 | {amino[6-chloro-2-(2-hydroxy-3-phenylphenyl)-1H-indol-5-yl]methylidene}azanium
Type:
Small organic molecule
Emp. Form.:
C21H17ClN3O
Mol. Mass.:
362.832
SMILES:
NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13573
Synonyms:
(2S)-5-carbamimidamido-N-(4-nitrophenyl)-2-{[(2S)-1-{[(2S)-5-oxopyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}pentanamide hydrochloride | Chromogenic Substrate S-2366 | Glu-Pro-Arg-pNA | Hepsin Chromogenic Substrate | L-Pyroglutamyl-L-prolyl-L-arginine-p-Nitroaniline | L-Pyroglutamyl-L-prolyl-L-argininep-Nitroaniline | S-2366
Type:
Small organic molecule
Emp. Form.:
C22H30N8O6
Mol. Mass.:
502.5236
SMILES:
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r|
Structure:
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