Reaction Details
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Chymotrypsin-like elastase family member 1
Ligand
BDBM65489
Substrate
n/a
Meas. Tech.
Protease Inhibition Assays
Temperature
310.15±0 K
IC50
1050±200 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:
Chymotrypsin-like elastase family member 1
Synonyms:
CELA1 | CELA1_BOVIN | ELA1 | Elastase I | Elastase-1
Type:
Protein
Mol. Mass.:
28527.42
Organism:
Bovine
Description:
Q28153
Residue:
266
Sequence:
MLRLLVFTSLVLYGHSTQDFPETNARVVGGTAVSKNSWPSQISLQYKSGSSWYHTCGGTLIKQKWVMTAAHCVDSQMTFRVVLGDHNLSQNDGTEQYISVQKIVVHPSWNSNNVAAGYDIAVLRLAQSATLNSYVQLGVLPQSGTILANNTPCYITGWGRTKTNGQLAQTLQQAYLPSVDYATCSSSSYWGSTVKTTMVCAGGDGVRAGCQGDSGGPLHCLVNGQYAVHGVTSFVSSLGCNVSKKPTVFTRVSAYISWINNAIASN
Inhibitor
Name:
BDBM65489
Synonyms:
MdnA7
Type:
Small organic molecule
Emp. Form.:
C85H108N18O25
Mol. Mass.:
1781.8726
SMILES:
CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(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](CCC(=O)NCCCC[C@H](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
Structure:
