Reaction Details Report a problem with these data
Target
Chymotrypsinogen B
Ligand
BDBM521750
Substrate
n/a
Meas. Tech.
Chromogenic Enzyme Activity Assays
Ki
2100±200 nM
Citation
 Kaiser, M; Köcher, S; Rey, J; Bongard, J; Ehrmann, M; Resch, S Tailored cyclodepsipeptides as potent non-covalent serine protease inhibitors US Patent  US11149067 Publication Date 10/19/2021 
Target
Name:
Chymotrypsinogen B
Synonyms:
Beta-chymotrypsin | CTRB | CTRB1 | CTRB1_HUMAN | Chymotrypsin B chain A | Chymotrypsin B chain B | Chymotrypsin B chain C | Chymotrypsinogen B | Synonyms=CTRB
Type:
PROTEIN
Mol. Mass.:
27713.98
Organism:
Homo sapiens (Human)
Description:
ChEMBL_10909
Residue:
263
Sequence:
MASLWLLSCFSLVGAAFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSDTCSTSSPGVYARVTKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM521750
Synonyms:
US11149067, Compound Ahp9
Type:
Small organic molecule
Emp. Form.:
C50H72N8O12
Mol. Mass.:
977.1531
SMILES:
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc2ccccc2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity: