Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231133
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
142±n/a nM
Comments
extracted
Citation
 Bregman, H; Buchanan, JL; Chakka, N; Dimauro, EF; Gunaydin, H; Guzman-Perez, A; Hua, Z; Huang, H; Huang, X; Martin, MW; Patel, VF Oxazolidinone compounds and derivatives thereof US Patent  US9340549 Publication Date 5/17/2016 
Target
Name:
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Synonyms:
PARP5A | PARPL | TIN1 | TINF1 | TNKS | TNKS1 | TNKS1_HUMAN | Tankyrase-1
Type:
Enzyme
Mol. Mass.:
26714.90
Organism:
Homo sapiens (Human)
Description:
O95271[1091-1325]
Residue:
235
Sequence:
QGTNPYLTFHCVNQGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPSQTATAAEQ
  
Inhibitor
Name:
BDBM231133
Synonyms:
US9340549, 158
Type:
Small organic molecule
Emp. Form.:
C22H27N3O3
Mol. Mass.:
381.4681
SMILES:
CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc[nH]1 |r,wU:7.8,17.22,wD:14.15,(-7.27,-.02,;-5.94,.75,;-6.71,-.58,;-5.94,2.29,;-4.47,2.77,;-3.7,4.1,;-3.57,1.52,;-4.47,.27,;-4.07,-1.21,;-5.16,-2.3,;-4.77,-3.79,;-3.28,-4.19,;-2.19,-3.1,;-2.59,-1.61,;-2.03,1.52,;-1.26,.19,;.28,.19,;1.05,1.52,;.28,2.85,;-1.26,2.85,;2.59,1.52,;3.36,2.85,;2.59,4.19,;4.9,2.85,;5.81,1.61,;7.27,2.08,;7.27,3.62,;5.81,4.1,)|
Structure:
Search PDB for entries with ligand similarity: