Reaction Details Report a problem with these data
Target
Kallikrein-13
Ligand
BDBM50256261
Substrate
n/a
Meas. Tech.
ChEBML_1687664
Ki
>50000±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-13
Synonyms:
3.4.21.- | KLK-L4 | KLK13 | KLK13_HUMAN | KLKL4 | Kallikrein 13 | Kallikrein-13 | Kallikrein-like protein 4
Type:
PROTEIN
Mol. Mass.:
30580.71
Organism:
Homo sapiens
Description:
ChEMBL_10853
Residue:
277
Sequence:
MWPLALVIASLTLALSGGVSQESSKVLNTNGTSGFLPGGYTCFPHSQPWQAALLVQGRLLCGGVLVHPKWVLTAAHCLKEGLKVYLGKHALGRVEAGEQVREVVHSIPHPEYRRSPTHLNHDHDIMLLELQSPVQLTGYIQTLPLSHNNRLTPGTTCRVSGWGTTTSPQVNYPKTLQCANIQLRSDEECRQVYPGKITDNMLCAGTKEGGKDSCEGDSGGPLVCNRTLYGIVSWGDFPCGQPDRPGVYTRVSRYVLWIRETIRKYETQQQKWLKGPQ
  
Inhibitor
Name:
BDBM50256261
Synonyms:
CHEMBL4059991
Type:
Small organic molecule
Emp. Form.:
C117H160N32O28S3
Mol. Mass.:
2558.915
SMILES:
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=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](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N2)c3 |r|
Structure:
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