Reaction Details Report a problem with these data
Target
Tryptase beta-2/delta/gamma
Ligand
BDBM50093202
Substrate
n/a
Meas. Tech.
ChEMBL_210830 (CHEMBL811859)
Ki
44±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 
Target
Name:
Tryptase beta-2/delta/gamma
Synonyms:
Tryptase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1510505
Components:
This complex has 3 components.
Component 1
Name:
Tryptase gamma
Synonyms:
PRSS31 | Serine protease 31 | TMT | TPSG1 | TRYG1_HUMAN | Transmembrane tryptase | Tryptase | Tryptase gamma | Tryptase gamma heavy chain | Tryptase gamma light chain
Type:
PROTEIN
Mol. Mass.:
33817.52
Organism:
Homo sapiens (Human)
Description:
ChEMBL_210833
Residue:
321
Sequence:
MALGACGLLLLLAVPGVSLRTLQPGCGRPQVSDAGGRIVGGHAAPAGAWPWQASLRLRRMHVCGGSLLSPQWVLTAAHCFSGSLNSSDYQVHLGELEITLSPHFSTVRQIILHSSPSGQPGTSGDIALVELSVPVTLSSRILPVCLPEASDDFCPGIRCWVTGWGYTREGEPLPPPYSLREVKVSVVDTETCRRDYPGPGGSILQPDMLCARGPGDACQDDSGGPLVCQVNGAWVQAGTVSWGEGCGRPNRPGVYTRVPAYVNWIRRHITASGGSESGYPRLPLLAGLFLPGLFLLLVSCVLLAKCLLHPSADGTPFPAPD
  
Component 2
Name:
Tryptase beta-2
Synonyms:
TPS2 | TPSB2 | TRYB2_HUMAN | Tryptase | Tryptase II | Tryptase beta-1 | Tryptase-2
Type:
PROTEIN
Mol. Mass.:
30518.79
Organism:
Homo sapiens (Human)
Description:
ChEMBL_210702
Residue:
275
Sequence:
MLNLLLLALPVLASRAYAAPAPGQALQRVGIVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEPVNVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKVPIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKKP
  
Component 3
Name:
Tryptase delta
Synonyms:
Delta-tryptase | HmMCP-3-like tryptase III | Mast cell mMCP-7-like | TPSD1 | TRYD_HUMAN | Tryptase delta | Tryptase-3
Type:
PROTEIN
Mol. Mass.:
26578.73
Organism:
Homo sapiens (Human)
Description:
ChEMBL_104777
Residue:
242
Sequence:
MLLLAPQMLSLLLLALPVLASPAYVAPAPGQALQQTGIVGGQEAPRSKWPWQVSLRVRGPYWMHFCGGSLIHPQWVLTAAHCVEPDIKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYIIQTGADIALLELEEPVNISSHIHTVTLPPASETFPPGMPCWVTGWGDVDNNVHLPPPYPLKEVEVPVVENHLCNAEYHTGLHTGHSFQIVRDDMLCAGSENHDSCQGDSGGPLVCKVNGT
  
Inhibitor
Name:
BDBM50093202
Synonyms:
CHEMBL307637 | Derivative of piperazine-1-carboxylic acid 5-(piperazine-1-carbonyloxy)-cyclooctyl ester
Type:
Small organic molecule
Emp. Form.:
C31H50N10O6
Mol. Mass.:
658.7921
SMILES:
[#7]-[#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:
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