Reaction Details Report a problem with these data
Target
Kallikrein-7
Ligand
BDBM50598290
Substrate
n/a
Meas. Tech.
ChEMBL_2226674 (CHEMBL5140187)
Ki
66±n/a nM
Citation
 Gonschorek, P; Zorzi, A; Maric, T; Le Jeune, M; Schüttel, M; Montagnon, M; Gómez-Ojea, R; Vollmar, DP; Whitfield, C; Reymond, L; Carle, V; Verma, H; Schilling, O; Hovnanian, A; Heinis, C Phage Display Selected Cyclic Peptide Inhibitors of Kallikrein-Related Peptidases 5 and 7 and Their  J Med Chem 65:9735-9749 (2022) [PubMed] 
Target
Name:
Kallikrein-7
Synonyms:
KLK7 | KLK7_HUMAN | Kallikrein 7 | Kallikrein-7 | PRSS6 | SCCE | Serine protease 6 | Stratum corneum chymotryptic enzyme | hK7 | hSCCE | kallikrein-7 isoform 1 preproprotein
Type:
PROTEIN
Mol. Mass.:
27535.05
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1469257
Residue:
253
Sequence:
MARSLLLPLQILLLSLALETAGEEAQGDKIIDGAPCARGSHPWQVALLSGNQLHCGGVLVNERWVLTAAHCKMNEYTVHLGSDTLGDRRAQRIKASKSFRHPGYSTQTHVNDLMLVKLNSQARLSSMVKKVRLPSRCEPPGTTCTVSGWGTTTSPDVTFPSDLMCVDVKLISPQDCTKVYKDLLENSMLCAGIPDSKKNACNGDSGGPLVCRGTLQGLVSWGTFPCGQPNDPGVYTQVCKFTKWINDTMKKHR
  
Inhibitor
Name:
BDBM50598290
Synonyms:
CHEMBL5175954
Type:
Small organic molecule
Emp. Form.:
C102H158N34O23S4
Mol. Mass.:
2356.82
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC1=O)C(=O)N[C@@H](CO)C(N)=O)n2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@@H](N)Cc3c[nH]cn3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)n2 |r|
Structure:
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