Reaction Details Report a problem with these data
Target
Dimer of Tryptase beta-2
Ligand
BDBM50187175
Substrate
n/a
Meas. Tech.
ChEMBL_387229 (CHEMBL864198)
Ki
11±n/a nM
Citation
Lee, CS; Liu, W; Sprengeler, PA; Somoza, JR; Janc, JW; Sperandio, D; Spencer, JR; Green, MJ; McGrath, ME Design of novel, potent, and selective human beta-tryptase inhibitors based on alpha-keto-[1,2,4]-oxadiazoles. Bioorg Med Chem Lett 16:4036-40 (2006) [PubMed] Article
More Info.:
Target
Name:
Dimer of Tryptase beta-2
Synonyms:
Tryptase beta-1/beta-2
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 365130
Components:
This complex has 2 components.
Component 1
Name:
Tryptase beta-2
Synonyms:
TPS2 | TPSB2 | TRYB2_HUMAN | Tryptase | Tryptase II | Tryptase beta-1 | Tryptase-2
Type:
PROTEIN
Mol. Mass.:
30518.79
Organism:
Human
Description:
ChEMBL_210702
Residue:
275
Sequence:
MLNLLLLALPVLASRAYAAPAPGQALQRVGIVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEPVNVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKVPIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKKP
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:
Human
Description:
ChEMBL_210702
Residue:
275
Sequence:
MLNLLLLALPVLASRAYAAPAPGQALQRVGIVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEPVNVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKVPIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKKP
Inhibitor
Name:
BDBM50187175
Synonyms:
(S)-benzyl 6-amino-1-oxo-1-(5-((4-(3-phenylpropyl)piperazin-1-yl)methyl)-1,2,4-oxadiazol-3-yl)hexan-2-ylcarbamate | CHEMBL209604
Type:
Small organic molecule
Emp. Form.:
C30H40N6O4
Mol. Mass.:
548.6764
SMILES:
NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CCCc3ccccc3)CC2)n1