Reaction Details
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Serine protease 1
Ligand
BDBM50093158
Substrate
n/a
Meas. Tech.
ChEBML_212895
Ki
129000±n/a nM
Citation
Rice, KD; Wang, VR; Gangloff, AR; Kuo, EY; Dener, JM; Newcomb, WS; Young, WB; Putnam, D; Cregar, L; Wong, M; Simpson, PJ Dibasic inhibitors of human mast cell tryptase. Part 2: structure-activity relationships and requirements for potent activity. Bioorg Med Chem Lett 10:2361-6 (2001) [PubMed] Article More Info.:
Target
Name:
Serine protease 1
Synonyms:
Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1
Type:
Enzyme
Mol. Mass.:
26557.80
Organism:
Homo sapiens (Human)
Description:
P07477
Residue:
247
Sequence:
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVSAGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVINARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKITSNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIKNTIAANS
Inhibitor
Name:
BDBM50093158
Synonyms:
1-{4-[4-amino(imino)methylaminobenzylcarbamoyl]hexahydro-1-pyrazinylcarbonyloxy}-5-[4-(5-aminopentylcarbamoyl)hexahydro-1-pyrazinylcarbonyloxy]cyclooctane | CHEMBL42900 | Derivative of piperazine-1-carboxylic acid 5-(piperazine-1-carbonyloxy)-cyclooctyl ester
Type:
Small organic molecule
Emp. Form.:
C33H54N10O6
Mol. Mass.:
686.8453
SMILES:
[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-1)-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]
Structure:
