Reaction Details Report a problem with these data
Target
Urokinase-type plasminogen activator
Ligand
BDBM50459079
Substrate
n/a
Meas. Tech.
ChEMBL_2158843 (CHEMBL5043593)
Ki
3293±n/a nM
Citation
 S El Salamouni, N; Buckley, BJ; Jiang, L; Huang, M; Ranson, M; Kelso, MJ; Yu, H Disruption of Water Networks is the Cause of Human/Mouse Species Selectivity in Urokinase Plasminogen Activator (uPA) Inhibitors Derived from Hexamethylene Amiloride (HMA). J Med Chem 65:1933-1945 (2022) [PubMed]  Article 
Target
Name:
Urokinase-type plasminogen activator
Synonyms:
Plau | UROK_MOUSE | Urokinase-type plasminogen activator (uPA)
Type:
Enzyme
Mol. Mass.:
48282.52
Organism:
Mus musculus (Mouse)
Description:
P06869
Residue:
433
Sequence:
MKVWLASLFLCALVVKNSEGGSVLGAPDESNCGCQNGGVCVSYKYFSRIRRCSCPRKFQGEHCEIDASKTCYHGNGDSYRGKANTDTKGRPCLAWNAPAVLQKPYNAHRPDAISLGLGKHNYCRNPDNQKRPWCYVQIGLRQFVQECMVHDCSLSKKPSSSVDQQGFQCGQKALRPRFKIVGGEFTEVENQPWFAAIYQKNKGGSPPSFKCGGSLISPCWVASAAHCFIQLPKKENYVVYLGQSKESSYNPGEMKFEVEQLILHEYYREDSLAYHNDIALLKIRTSTGQCAQPSRSIQTICLPPRFTDAPFGSDCEITGFGKESESDYLYPKNLKMSVVKLVSHEQCMQPHYYGSEINYKMLCAADPEWKTDSCKGDSGGPLICNIEGRPTLSGIVSWGRGCAEKNKPGVYTRVSHFLDWIQSHIGEEKGLAF
  
Inhibitor
Name:
BDBM50459079
Synonyms:
CHEMBL4206764
Type:
Small organic molecule
Emp. Form.:
C18H25N9O3
Mol. Mass.:
415.4496
SMILES:
COc1ncc(c(OC)n1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1
Structure:
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