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Target
Intestinal-type alkaline phosphatase
Ligand
BDBM50276361
Substrate
n/a
Meas. Tech.
ChEMBL_1715604 (CHEMBL4125653)
IC50
1380±n/a nM
Citation
 Ibrar, A; Shehzadi, SA; Saeed, F; Khan, I Developing hybrid molecule therapeutics for diverse enzyme inhibitory action: Active role of coumarin-based structural leads in drug discovery. Bioorg Med Chem 26:3731-3762 (2018) [PubMed]  Article 
Target
Name:
Intestinal-type alkaline phosphatase
Synonyms:
ALPI | Intestinal alkaline phosphatase | Intestinal alkaline phosphatase (IAP) | Intestinal-type alkaline phosphatase (IAP) | PPBI_BOVIN
Type:
Protein
Mol. Mass.:
57094.82
Organism:
Bos taurus (Cattle)
Description:
P19111
Residue:
533
Sequence:
MQGACVLLLLGLHLQLSLGLVPVEEEDPAFWNRQAAQALDVAKKLQPIQTAAKNVILFLGDGMGVPTVTATRILKGQMNGKLGPETPLAMDQFPYVALSKTYNVDRQVPDSAGTATAYLCGVKGNYRTIGVSAAARYNQCKTTRGNEVTSVMNRAKKAGKSVGVVTTTRVQHASPAGAYAHTVNRNWYSDADLPADAQMNGCQDIAAQLVNNMDIDVILGGGRKYMFPVGTPDPEYPDDASVNGVRKRKQNLVQAWQAKHQGAQYVWNRTALLQAADDSSVTHLMGLFEPADMKYNVQQDHTKDPTLQEMTEVALRVVSRNPRGFYLFVEGGRIDHGHHDDKAYMALTEAGMFDNAIAKANELTSELDTLILVTADHSHVFSFGGYTLRGTSIFGLAPSKALDSKSYTSILYGNGPGYALGGGSRPDVNDSTSEDPSYQQQAAVPQASETHGGEDVAVFARGPQAHLVHGVEEETFVAHIMAFAGCVEPYTDCNLPAPTTATSIPDAAHLAASPPPLALLAGAMLLLLAPTLY
  
Inhibitor
Name:
BDBM50276361
Synonyms:
CHEMBL4129493
Type:
Small organic molecule
Emp. Form.:
C30H21N3O5S
Mol. Mass.:
535.57
SMILES:
Cc1ccc(c(C)c1)-n1c(cs\c1=N\NC(=O)c1cc2ccccc2oc1=O)-c1cc2ccccc2oc1=O |(6.52,-45.77,;7.43,-44.52,;8.97,-44.68,;9.87,-43.44,;9.24,-42.03,;7.71,-41.87,;7.93,-40.44,;6.8,-43.11,;10.15,-40.79,;11.69,-40.79,;12.17,-39.33,;10.92,-38.42,;9.68,-39.33,;8.21,-38.85,;7,-39.8,;5.6,-39.41,;4.45,-40.44,;5.28,-37.9,;6.42,-36.87,;6.1,-35.36,;7.24,-34.34,;6.93,-32.83,;5.46,-32.35,;4.32,-33.38,;4.64,-34.88,;3.49,-35.91,;3.8,-37.42,;2.66,-38.46,;12.6,-42.04,;14.13,-41.87,;15.03,-43.13,;16.56,-42.98,;17.45,-44.22,;16.82,-45.63,;15.29,-45.78,;14.39,-44.53,;12.86,-44.69,;11.97,-43.45,;10.46,-43.84,)|
Structure:
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