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Target
Kallikrein-2
Ligand
BDBM50256262
Substrate
n/a
Meas. Tech.
ChEBML_1687660
Ki
10000±n/a nM
Citation
 Teufel, DP; Bennett, G; Harrison, H; van Rietschoten, K; Pavan, S; Stace, C; Le Floch, F; Van Bergen, T; Vermassen, E; Barbeaux, P; Hu, TT; Feyen, JHM; Vanhove, M Stable and Long-Lasting, Novel Bicyclic Peptide Plasma Kallikrein Inhibitors for the Treatment of Diabetic Macular Edema. J Med Chem 61:2823-2836 (2018) [PubMed]  Article 
Target
Name:
Kallikrein-2
Synonyms:
Glandular kallikrein-1 | KLK2 | KLK2_HUMAN | Kallikrein 2 | Kallikrein-2 | Tissue kallikrein-2 | hGK-1
Type:
PROTEIN
Mol. Mass.:
28673.68
Organism:
Homo sapiens (Human)
Description:
ChEMBL_862797
Residue:
261
Sequence:
MWDLVLSIALSVGCTGAVPLIQSRIVGGWECEKHSQPWQVAVYSHGWAHCGGVLVHPQWVLTAAHCLKKNSQVWLGRHNLFEPEDTGQRVPVSHSFPHPLYNMSLLKHQSLRPDEDSSHDLMLLRLSEPAKITDVVKVLGLPTQEPALGTTCYASGWGSIEPEEFLRPRSLQCVSLHLLSNDMCARAYSEKVTEFMLCAGLWTGGKDTCGGDSGGPLVCNGVLQGITSWGPEPCALPEKPAVYTKVVHYRKWIKDTIAANP
  
Inhibitor
Name:
BDBM50256262
Synonyms:
CHEMBL4070056
Type:
Small organic molecule
Emp. Form.:
C114H161N29O28S3
Mol. Mass.:
2481.871
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3)C(C)C |r|
Structure:
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