Reaction Details Report a problem with these data
Target
Intestinal-type alkaline phosphatase
Ligand
BDBM50464724
Substrate
n/a
Meas. Tech.
ChEMBL_1782194 (CHEMBL4253711)
IC50
460±n/a nM
Citation
 Jafari, B; Ospanov, M; Ejaz, SA; Yelibayeva, N; Khan, SU; Amjad, ST; Safarov, S; Abilov, ZA; Turmukhanova, MZ; Kalugin, SN; Ehlers, P; Lecka, J; Sévigny, J; Iqbal, J; Langer, P 2-Substituted 7-trifluoromethyl-thiadiazolopyrimidones as alkaline phosphatase inhibitors. Synthesis, structure activity relationship and molecular docking study. Eur J Med Chem 144:116-127 (2018) [PubMed]  Article 
Target
Name:
Intestinal-type alkaline phosphatase
Synonyms:
ALPI | Alkaline phosphatase, intestinal | Intestinal alkaline phosphatase | PPBI_HUMAN
Type:
PROTEIN
Mol. Mass.:
56804.94
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1278525
Residue:
528
Sequence:
MQGPWVLLLLGLRLQLSLGVIPAEEENPAFWNRQAAEALDAAKKLQPIQKVAKNLILFLGDGLGVPTVTATRILKGQKNGKLGPETPLAMDRFPYLALSKTYNVDRQVPDSAATATAYLCGVKANFQTIGLSAAARFNQCNTTRGNEVISVMNRAKQAGKSVGVVTTTRVQHASPAGTYAHTVNRNWYSDADMPASARQEGCQDIATQLISNMDIDVILGGGRKYMFPMGTPDPEYPADASQNGIRLDGKNLVQEWLAKHQGAWYVWNRTELMQASLDQSVTHLMGLFEPGDTKYEIHRDPTLDPSLMEMTEAALRLLSRNPRGFYLFVEGGRIDHGHHEGVAYQALTEAVMFDDAIERAGQLTSEEDTLTLVTADHSHVFSFGGYTLRGSSIFGLAPSKAQDSKAYTSILYGNGPGYVFNSGVRPDVNESESGSPDYQQQAAVPLSSETHGGEDVAVFARGPQAHLVHGVQEQSFVAHVMAFAACLEPYTACDLAPPACTTDAAHPVAASLPLLAGTLLLLGASAAP
  
Inhibitor
Name:
BDBM50464724
Synonyms:
CHEMBL4286723
Type:
Small organic molecule
Emp. Form.:
C14H10F3N3OS
Mol. Mass.:
325.309
SMILES:
Cc1cc(C)cc(c1)-c1nn2c(nc(cc2=O)C(F)(F)F)s1
Structure:
Search PDB for entries with ligand similarity: