Reaction Details Report a problem with these data
Target
Tryptase beta-2
Ligand
BDBM14308
Substrate
BDBM12679
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
18000±n/a nM
Citation
McGrath, ME; Sprengeler, PA; Hirschbein, B; Somoza, JR; Lehoux, I; Janc, JW; Gjerstad, E; Graupe, M; Estiarte, A; Venkataramani, C; Liu, Y; Yee, R; Ho, JD; Green, MJ; Lee, CS; Liu, L; Tai, V; Spencer, J; Sperandio, D; Katz, BA Structure-guided design of peptide-based tryptase inhibitors. Biochemistry 45:5964-73 (2006) [PubMed] Article
More Info.:
Target
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
Inhibitor
Name:
BDBM14308
Synonyms:
(2S)-N-[3-(2-amino-1H-1,3-benzodiazol-5-yl)-1-(1,3-benzothiazol-2-yl)-1-oxopropan-2-yl]-3-phenyl-2-[(2R)-3-phenyl-2-(phenylmethane)sulfonamidopropanamido]propanamide | 2-Aminobenzimidazole Compound 12
Type:
Small organic molecule
Emp. Form.:
C42H39N7O5S2
Mol. Mass.:
785.933
SMILES:
Nc1nc2ccc(CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc3ccccc3)C(=O)c3nc4ccccc4s3)cc2[nH]1 |r|