Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM50074921
Substrate
n/a
Meas. Tech.
ChEBML_207865
Ki
223000±n/a nM
Citation
 Garrett, GS; McPhail, SJ; Tornheim, K; Correa, PE; McIver, JM Synthesis of potent and selective inhibitors of human plasma kallikrein. Bioorg Med Chem Lett 9:301-6 (1999) [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:
BDBM50074921
Synonyms:
[(R)-1-({(S)-Naphthalen-2-yl-[3,3,3-trifluoro-1-(4-guanidino-benzyl)-2-oxo-propylcarbamoyl]-methyl}-carbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C37H40F3N6O5
Mol. Mass.:
705.7454
SMILES:
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1
Structure:
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