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Target
Chymotrypsinogen B2
Ligand
BDBM50504368
Substrate
n/a
Meas. Tech.
ChEMBL_1814630 (CHEMBL4314204)
Ki
12378±n/a nM
Citation
 Chen, P; Zhang, D; Li, M; Wu, Q; Lam, YPY; Guo, Y; Chen, C; Bai, N; Malhotra, S; Li, W; O'Connor, PB; Fu, H Discovery of novel, potent, isosteviol-based antithrombotic agents. Eur J Med Chem 183:0 (2019) [PubMed]  Article 
Target
Name:
Chymotrypsinogen B2
Synonyms:
3.4.21.1 | CTRB2 | CTRB2_HUMAN | Chymotrypsin B2 chain A | Chymotrypsin B2 chain B | Chymotrypsin B2 chain C | Chymotrypsinogen B2
Type:
PROTEIN
Mol. Mass.:
27926.36
Organism:
Homo sapiens
Description:
ChEMBL_119704
Residue:
263
Sequence:
MAFLWLLSCWALLGTTFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSRTCSTTTPAVYARVAKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM50504368
Synonyms:
CHEMBL4435573
Type:
Small organic molecule
Emp. Form.:
C27H43NO4
Mol. Mass.:
445.6346
SMILES:
[H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/OCC1(C)COC1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:3.2.1:6|
Structure:
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