Reaction Details Report a problem with these data
Target
Kallikrein-5
Ligand
BDBM50598281
Substrate
n/a
Meas. Tech.
ChEMBL_2226673 (CHEMBL5140186)
Ki
5.1±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]
More Info.:
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:
BDBM50598281
Synonyms:
CHEMBL5194536
Type:
Small organic molecule
Emp. Form.:
C42H60N12O13S2
Mol. Mass.:
1005.128
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)CSC[C@H](NC2=O)C(O)=O)NC(=O)CN)[C@@H](C)O |r|