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Target
Poly [ADP-ribose] polymerase 2
Ligand
BDBM50434155
Substrate
n/a
Meas. Tech.
ChEMBL_959446 (CHEMBL2384484)
IC50
>170000±n/a nM
Citation
 Bregman, H; Chakka, N; Guzman-Perez, A; Gunaydin, H; Gu, Y; Huang, X; Berry, V; Liu, J; Teffera, Y; Huang, L; Egge, B; Mullady, EL; Schneider, S; Andrews, PS; Mishra, A; Newcomb, J; Serafino, R; Strathdee, CA; Turci, SM; Wilson, C; DiMauro, EF Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors. J Med Chem 56:4320-42 (2013) [PubMed]  Article 
Target
Name:
Poly [ADP-ribose] polymerase 2
Synonyms:
(ARTD2 or PARP2) | ADPRT2 | ADPRTL2 | PARP2 | PARP2_HUMAN | Poly [ADP-ribose] polymerase 2 (PARP-2) | Poly [ADP-ribose] polymerase 2 (PARP2)
Type:
Enzyme
Mol. Mass.:
66225.70
Organism:
Homo sapiens (Human)
Description:
Q9UGN5
Residue:
583
Sequence:
MAARRRRSTGGGRARALNESKRVNNGNTAPEDSSPAKKTRRCQRQESKKMPVAGGKANKDRTEDKQDGMPGRSWASKRVSESVKALLLKGKAPVDPECTAKVGKAHVYCEGNDVYDVMLNQTNLQFNNNKYYLIQLLEDDAQRNFSVWMRWGRVGKMGQHSLVACSGNLNKAKEIFQKKFLDKTKNNWEDREKFEKVPGKYDMLQMDYATNTQDEEETKKEESLKSPLKPESQLDLRVQELIKLICNVQAMEEMMMEMKYNTKKAPLGKLTVAQIKAGYQSLKKIEDCIRAGQHGRALMEACNEFYTRIPHDFGLRTPPLIRTQKELSEKIQLLEALGDIEIAIKLVKTELQSPEHPLDQHYRNLHCALRPLDHESYEFKVISQYLQSTHAPTHSDYTMTLLDLFEVEKDGEKEAFREDLHNRMLLWHGSRMSNWVGILSHGLRIAPPEAPITGYMFGKGIYFADMSSKSANYCFASRLKNTGLLLLSEVALGQCNELLEANPKAEGLLQGKHSTKGLGKMAPSSAHFVTLNGSTVPLGPASDTGILNPDGYTLNYNEYIVYNPNQVRMRYLLKVQFNFLQLW
  
Inhibitor
Name:
BDBM50434155
Synonyms:
CHEMBL2381946 | US9340549, 60
Type:
Small organic molecule
Emp. Form.:
C25H25FN4O3
Mol. Mass.:
448.4894
SMILES:
CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(C#N)c(F)c2[nH]c1=O |r,wU:17.22,7.8,wD:14.15,(35.11,-25.03,;35.89,-23.7,;34.35,-23.69,;35.89,-22.16,;37.36,-21.69,;37.84,-20.22,;38.27,-22.93,;37.36,-24.18,;38.19,-25.47,;37.48,-26.84,;38.31,-28.14,;39.85,-28.07,;40.55,-26.69,;39.72,-25.4,;39.81,-22.93,;40.58,-24.27,;42.12,-24.27,;42.89,-22.94,;42.11,-21.6,;40.57,-21.6,;44.43,-22.93,;45.33,-24.17,;45.01,-25.67,;46.16,-26.7,;47.63,-26.22,;48.78,-27.24,;49.93,-28.27,;47.94,-24.72,;49.4,-24.24,;46.8,-23.7,;46.8,-22.16,;45.33,-21.68,;44.85,-20.22,)|
Structure:
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