Reaction Details Report a problem with these data
Target
Kallikrein-5
Ligand
BDBM50513784
Substrate
n/a
Meas. Tech.
ChEMBL_1854454 (CHEMBL4355183)
Ki
0.730000±n/a nM
Citation
 Li, CY; de Veer, SJ; White, AM; Chen, X; Harris, JM; Swedberg, JE; Craik, DJ Amino Acid Scanning at P5' within the Bowman-Birk Inhibitory Loop Reveals Specificity Trends for Diverse Serine Proteases. J Med Chem 62:3696-3706 (2019) [PubMed]  Article 
Target
Name:
Kallikrein-5
Synonyms:
KLK5 | KLK5_HUMAN | Kallikrein 5 | SCTE | kallikrein-related peptidase 5 preproprotein
Type:
PROTEIN
Mol. Mass.:
32031.72
Organism:
Homo sapiens (Human)
Description:
EBI_12584
Residue:
293
Sequence:
MATARPPWMWVLCALITALLLGVTEHVLANNDVSCDHPSNTVPSGSNQDLGAGAGEDARSDDSSSRIINGSDCDMHTQPWQAALLLRPNQLYCGAVLVHPQWLLTAAHCRKKVFRVRLGHYSLSPVYESGQQMFQGVKSIPHPGYSHPGHSNDLMLIKLNRRIRPTKDVRPINVSSHCPSAGTKCLVSGWGTTKSPQVHFPKVLQCLNISVLSQKRCEDAYPRQIDDTMFCAGDKAGRDSCQGDSGGPVVCNGSLQGLVSWGDYPCARPNRPGVYTNLCKFTKWIQETIQANS
  
Inhibitor
Name:
BDBM50513784
Synonyms:
CHEMBL4550494
Type:
Small organic molecule
Emp. Form.:
C71H93N19O21S2
Mol. Mass.:
1612.743
SMILES:
NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N2 |r|
Structure:
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