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Target
Chymotrypsinogen B2
Ligand
BDBM50502655
Substrate
n/a
Meas. Tech.
ChEMBL_1808147 (CHEMBL4307506)
Ki
463±n/a nM
Citation
 Tian, S; Swedberg, JE; Li, CY; Craik, DJ; de Veer, SJ Iterative Optimization of the Cyclic Peptide SFTI-1 Yields Potent Inhibitors of Neutrophil Proteinase 3. ACS Med Chem Lett 10:1234-1239 (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:
Human
Description:
ChEMBL_119704
Residue:
263
Sequence:
MAFLWLLSCWALLGTTFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSRTCSTTTPAVYARVAKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM50502655
Synonyms:
CHEMBL4560512
Type:
Small organic molecule
Emp. Form.:
C78H100N16O19S2
Mol. Mass.:
1629.854
SMILES:
CCCC1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N2 |r|
Structure:
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