Reaction Details Report a problem with these data
Target
5'-nucleotidase
Ligand
BDBM435822
Substrate
n/a
Meas. Tech.
Enzyme In Vitro Assay
IC50
30.0±n/a nM
Citation
 Billedeau, RJ; Li, J; Chen, L Ectonucleotidase inhibitors and methods of use thereof US Patent  US11034715 Publication Date 6/15/2021 
Target
Name:
5'-nucleotidase
Synonyms:
5'-NT | 5'-nucleotidase (CD73) | 5NTD_HUMAN | CD_antigen=CD73 | Ecto-5'-nucleotidase | Ecto-5-nucleotidase (e5'NT) | NT5 | NT5E | NTE
Type:
Enzyme
Mol. Mass.:
63371.54
Organism:
Homo sapiens (Human)
Description:
P21589
Residue:
574
Sequence:
MCPRAARAPATLLLALGAVLWPAAGAWELTILHTNDVHSRLEQTSEDSSKCVNASRCMGGVARLFTKVQQIRRAEPNVLLLDAGDQYQGTIWFTVYKGAEVAHFMNALRYDAMALGNHEFDNGVEGLIEPLLKEAKFPILSANIKAKGPLASQISGLYLPYKVLPVGDEVVGIVGYTSKETPFLSNPGTNLVFEDEITALQPEVDKLKTLNVNKIIALGHSGFEMDKLIAQKVRGVDVVVGGHSNTFLYTGNPPSKEVPAGKYPFIVTSDDGRKVPVVQAYAFGKYLGYLKIEFDERGNVISSHGNPILLNSSIPEDPSIKADINKWRIKLDNYSTQELGKTIVYLDGSSQSCRFRECNMGNLICDAMINNNLRHTDEMFWNHVSMCILNGGGIRSPIDERNNGTITWENLAAVLPFGGTFDLVQLKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDLSRKPGDRVVKLDVLCTKCRVPSYDPLKMDEVYKVILPNFLANGGDGFQMIKDELLRHDSGDQDINVVSTYISKMKVIYPAVEGRIKFSTGSHCHGSFSLIFLSLWAVIFVLYQ
  
Inhibitor
Name:
BDBM435822
Synonyms:
US10570167, Cpd. # 140 | US10570167, Cpd. # 141 | US11034715, Cpd. # 141
Type:
Small organic molecule
Emp. Form.:
C25H22ClFN6O8S
Mol. Mass.:
620.994
SMILES:
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(NC(=O)c3cccs3)cc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F |r|
Structure:
Search PDB for entries with ligand similarity: