Reaction Details Report a problem with these data
Target
Tryptase beta-2/delta/gamma
Ligand
BDBM50093160
Substrate
n/a
Meas. Tech.
ChEMBL_210830 (CHEMBL811859)
Ki
16±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:
BDBM50093160
Synonyms:
CHEMBL263454 | Derivative of piperazine-1-carboxylic acid 5-(piperazine-1-carbonyloxy)-cyclooctyl ester
Type:
Small organic molecule
Emp. Form.:
C36H64N8O6
Mol. Mass.:
704.9434
SMILES:
NC[C@H]1CC[C@H](CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NC[C@H]2CC[C@H](CN)CC2)CC1 |wU:23.28,19.19,40.42,5.5,wD:43.46,2.1,(30.08,-2.68,;28.89,-1.71,;27.39,-2.2,;26.22,-1.23,;24.74,-1.73,;24.44,-3.17,;22.96,-3.65,;21.77,-2.7,;20.54,-1.8,;20.74,-.33,;19.09,-2.35,;18.88,-3.82,;17.43,-4.38,;16.18,-3.48,;16.38,-2.01,;17.83,-1.45,;14.73,-4.04,;14.53,-5.5,;13.5,-3.14,;12.06,-3.7,;12.06,-5.17,;10.94,-6.22,;9.37,-6.22,;8.26,-5.17,;8.26,-3.7,;9.37,-2.65,;10.94,-2.65,;6.81,-5.74,;5.57,-4.85,;5.77,-3.38,;4.13,-5.4,;3.93,-6.86,;2.47,-7.44,;1.23,-6.52,;1.45,-5.07,;2.88,-4.5,;-.22,-7.09,;-.42,-8.54,;-1.46,-6.17,;-2.69,-5.25,;-4.13,-5.79,;-4.37,-7.24,;-5.82,-7.8,;-7.06,-6.87,;-8.5,-7.42,;-9.73,-6.5,;-6.83,-5.4,;-5.37,-4.87,;25.63,-4.15,;27.11,-3.65,)|
Structure:
Search PDB for entries with ligand similarity: