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Target
Chymotrypsinogen B2
Ligand
BDBM50502658
Substrate
n/a
Meas. Tech.
ChEMBL_1808147 (CHEMBL4307506)
IC50
>10000±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:
Homo sapiens
Description:
ChEMBL_119704
Residue:
263
Sequence:
MAFLWLLSCWALLGTTFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSRTCSTTTPAVYARVAKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM50502658
Synonyms:
CHEMBL4557877
Type:
Small organic molecule
Emp. Form.:
C66H92N16O20S2
Mol. Mass.:
1493.662
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)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]([C@@H](C)O)C(=O)N2 |r|
Structure:
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