Reaction Details  Report a problem with these data
Target
Alkaline phosphatase, tissue-nonspecific isozyme
Ligand
BDBM50234721
Substrate
n/a
Meas. Tech.
ChEMBL_1653676 (CHEMBL4003042)
IC50
2350±n/a nM
Citation
 Miliutina, M; Ejaz, SA; Khan, SU; Iaroshenko, VO; Villinger, A; Iqbal, J; Langer, P Synthesis, alkaline phosphatase inhibition studies and molecular docking of novel derivatives of 4-quinolones. Eur J Med Chem 126:408-420 (2017) [PubMed]  Article
Target
Name:
Alkaline phosphatase, tissue-nonspecific isozyme
Synonyms:
ALPL | AP-TNAP | Alkaline phosphatase liver/bone/kidney isozyme | Alkaline phosphatase, tissue-nonspecific isozyme | PPBT_BOVIN | TNSALP | Tissue non-specific alkaline phosphatase (TNAP)
Type:
Protein
Mol. Mass.:
57195.60
Organism:
Bos taurus (Cattle)
Description:
P09487
Residue:
524
Sequence:
MISPFLLLAIGTCFASSLVPEKEKDPKYWRDQAQQTLKNALRLQTLNTNVAKNVIMFLGDGMGVSTVTAARILKGQLHHSPGEETKLEMDKFPYVALSKTYNTNAQVPDSAGTATAYLCGVKANEGTVGVSAATQRSQCNTTQGNEVTSILRWAKDAGKSVGIVTTTRVNHATPSASYAHSADRDWYSDNEMPPEALSQGCKDIAYQLMHNIKDIEVIMGGGRKYMFPKNRTDVEYELDEKARGTRLDGLNLIDIWKSFKPKHKHSHYVWNRTDLLALDPHSVDYLLGLFEPGDMQYELNRNNATDPSLSEMVEMAIRILNKNPKGFFLLVEGGRIDHGHHEGKAKQALHEAVEMDQAIGQAGAMTSVEDTLTVVTADHSHVFTFGGYTPRGNSIFGLAPMVSDTDKKPFTAILYGNGPGYKVVGGERENVSMVDYAHNNYQAQSAVPLRHETHGGEDVAVFAKGPMAHLLHGVHEQNYIPHVMAYAACIGANRDHCASASSSGSPSPGPLLLLLALLPLGSLF
  
Inhibitor
Name:
BDBM50234721
Synonyms:
CHEMBL4081390
Type:
Small organic molecule
Emp. Form.:
C31H24N2O5
Mol. Mass.:
504.5327
SMILES:
COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccccc3C=O)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1 |(41.76,-40.13,;43.1,-40.89,;44.43,-40.12,;44.42,-38.57,;45.75,-37.8,;47.09,-38.57,;48.42,-37.8,;48.41,-36.26,;49.76,-35.48,;51.09,-36.25,;51.09,-37.79,;52.42,-38.55,;53.76,-37.78,;55.09,-38.54,;53.75,-36.23,;52.41,-35.47,;49.75,-33.93,;51.09,-33.16,;52.42,-33.93,;53.75,-33.15,;53.75,-31.61,;52.4,-30.85,;51.08,-31.62,;49.74,-30.86,;49.73,-29.32,;48.4,-33.15,;48.39,-31.61,;47.06,-33.94,;45.73,-33.17,;44.4,-33.94,;44.4,-35.49,;45.73,-36.26,;47.07,-35.49,;43.07,-33.17,;43.07,-31.64,;41.73,-33.95,;47.1,-40.11,;45.77,-40.88,)|
Structure:
Search PDB for entries with ligand similarity: