Reaction Details Report a problem with these data
Target
Kallikrein-4
Ligand
BDBM50507482
Substrate
n/a
Meas. Tech.
ChEMBL_1830142 (CHEMBL4330016)
Ki
0.440000±n/a nM
Citation
 Swedberg, JE; Ghani, HA; Harris, JM; de Veer, SJ; Craik, DJ Potent, Selective, and Cell-Penetrating Inhibitors of Kallikrein-Related Peptidase 4 Based on the Cyclic Peptide MCoTI-II. ACS Med Chem Lett 9:1258-1262 (2018) [PubMed]  Article 
Target
Name:
Kallikrein-4
Synonyms:
EMSP1 | Enamel matrix serine proteinase 1 | KLK-L1 | KLK4 | KLK4_HUMAN | Kallikrein 4 | Kallikrein-4 | Kallikrein-like protein 1 | PRSS17 | PSTS | Prostase | Serine protease 17
Type:
PROTEIN
Mol. Mass.:
27022.83
Organism:
Homo sapiens (Human)
Description:
ChEMBL_595923
Residue:
254
Sequence:
MATAGNPWGWFLGYLILGVAGSLVSGSCSQIINGEDCSPHSQPWQAALVMENELFCSGVLVHPQWVLSAAHCFQNSYTIGLGLHSLEADQEPGSQMVEASLSVRHPEYNRPLLANDLMLIKLDESVSESDTIRSISIASQCPTAGNSCLVSGWGLLANGRMPTVLQCVNVSVVSEEVCSKLYDPLYHPSMFCAGGGHDQKDSCNGDSGGPLICNGYLQGLVSFGKAPCGQVGVPGVYTNLCKFTEWIEKTVQAS
  
Inhibitor
Name:
BDBM50507482
Synonyms:
CHEMBL4531700
Type:
Small organic molecule
Emp. Form.:
C138H208N44O50S6
Mol. Mass.:
3475.783
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r|
Structure:
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