Reaction Details Report a problem with these data
Target
5'-nucleotidase
Ligand
BDBM50241052
Substrate
n/a
Meas. Tech.
ChEMBL_2034690 (CHEMBL4688848)
IC50
>100000±n/a nM
Citation
 Wang, Y; Wang, C; Zhu, Y; Zhang, Y; Chen, B; Wu, Y; Yao, J; Miao, Z Discovery of natural product ellagic acid as a potent CD73 and CD39 dual inhibitor. Bioorg Med Chem Lett 34:0 (2021) [PubMed]  Article 
Target
Name:
5'-nucleotidase
Synonyms:
3.1.3.5 | 5NTD_MOUSE | CD_antigen=CD73 | Nt5 | Nt5e | Nte
Type:
PROTEIN
Mol. Mass.:
63864.64
Organism:
Mus musculus
Description:
ChEMBL_120102
Residue:
576
Sequence:
MRPAAAKVPKWLLLALSALLPQWPAASAWELTILHTNDVHSRLEQTSDDSTKCLNASLCVGGVARLFTKVQQIRKEEPNVLFLDAGDQYQGTIWFTVYKGLEVAHFMNILGYDAMALGNHEFDNGVEGLIDPLLRNVKFPILSANIKARGPLAHQISGLFLPSKVLSVGGEVVGIVGYTSKETPFLSNPGTNLVFEDEISALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDIVVGGHSNTFLYTGNPPSKEVPAGKYPFIVTADDGRQVPVVQAYAFGKYLGYLKVEFDDKGNVITSYGNPILLNSSIPEDATIKADINQWRIKLDNYSTQELGRTIVYLDGSTQTCRFRECNMGNLICDAMINNNLRHPDEMFWNHVSMCIVNGGGIRSPIDEKNNGTITWENLAAVLPFGGTFDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDINRKPWNRVVQLEVLCTKCRVPIYEPLEMDKVYKVTLPSYLANGGDGFQMIKDELLKHDSGDQDISVVSEYISKMKVVYPAVEGRIKFSAASHYQGSFPLVILSFWAMILILYQ
  
Inhibitor
Name:
BDBM50241052
Synonyms:
1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose | 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | CHEMBL382408 | acs.jmedchem.1c00409_ST.650 | beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate)
Type:
Small organic molecule
Emp. Form.:
C41H32O26
Mol. Mass.:
940.6772
SMILES:
Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: