Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM65473
Substrate
n/a
Meas. Tech.
Protease Inhibition Assays
Temperature
310.15±0 K
IC50
28.4±4.0 nM
Citation
Ahmed, MN; Reyna-González, E; Schmid, B; Wiebach, V; Süssmuth, RD; Dittmann, E; Fewer, DP Phylogenomic Analysis of the Microviridin Biosynthetic Pathway Coupled with Targeted Chemo-Enzymatic Synthesis Yields Potent Protease Inhibitors. ACS Chem Biol 12:1538-1546 (2017) [PubMed] Article
More Info.:
Target
Name:
Serine protease 1
Synonyms:
Beta-Trypsin | Cationic trypsin | PRSS1 | TRP1 | TRY1 | TRY1_BOVIN | TRYP1 | Trypsin | Trypsin I
Type:
Enzyme
Mol. Mass.:
25790.52
Organism:
Bos taurus (bovine)
Description:
P00760
Residue:
246
Sequence:
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
Inhibitor
Name:
BDBM65473
Synonyms:
MdnA3
Type:
Small organic molecule
Emp. Form.:
C75H100N18O22
Mol. Mass.:
1605.7039
SMILES:
CC(C)[C@@H](NC(=O)[C@@H](N)C(C)O)C(=O)N[C@H]1C(C)OC(=O)C[C@@H]2NC(=O)[C@H]3COC(=O)CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N3)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O