Reaction Details Report a problem with these data
Target
Kallikrein-1
Ligand
BDBM419907
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
25.0±n/a nM
Citation
 Ogawa, AK; Brockunier, L; Tata, J; Parker, Jr., DL; Wang, M Factor XIa inhibitors US Patent  US10472344 Publication Date 11/12/2019 
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:
BDBM419907
Synonyms:
(S)-2-(1-(3-AMMONIO-1H-INDAZOLE-6-CARBOXAMIDO)-2-PHENYLETHYL)-5-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)PYRIDINE 1-OXIDE 2,2,2-TRIFLUOROACETATE | US10472344, Example 1
Type:
Small organic molecule
Emp. Form.:
C28H22ClN9O2
Mol. Mass.:
551.986
SMILES:
Nc1n[nH]c2cc(ccc12)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r|
Structure:
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