Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM50172786
Substrate
n/a
Meas. Tech.
ChEMBL_1578582 (CHEMBL3811623)
Ki
25±n/a nM
Citation
 Glunz, PW; Mueller, L; Cheney, DL; Ladziata, V; Zou, Y; Wurtz, NR; Wei, A; Wong, PC; Wexler, RR; Priestley, ES Atropisomer Control in Macrocyclic Factor VIIa Inhibitors. J Med Chem 59:4007-18 (2016) [PubMed]  Article 
Target
Name:
Kallikrein-1
Synonyms:
KLK1 | KLK1_HUMAN | Kallikrein 1 | Kallikrein-1 | Kidney/pancreas/salivary gland kallikrein | Tissue kallikrein
Type:
Enzyme
Mol. Mass.:
28874.69
Organism:
Homo sapiens (Human)
Description:
P06870
Residue:
262
Sequence:
MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWVLTAAHCISDNYQLWLGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHDLMLLRLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQCVDLKILPNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVLQGVTSWGYVPCGTPNKPSVAVRVLSYVKWIEDTIAENS
  
Inhibitor
Name:
BDBM50172786
Synonyms:
CHEMBL3809909
Type:
Small organic molecule
Emp. Form.:
C29H29N5O3
Mol. Mass.:
495.5723
SMILES:
CC1(C)COC(=O)Nc2cccc(CNC(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2 |r|
Structure:
Search PDB for entries with ligand similarity: