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Target
Poly [ADP-ribose] polymerase 2
Ligand
BDBM50434158
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:
BDBM50434158
Synonyms:
CHEMBL2381936 | US9340549, 59
Type:
Small organic molecule
Emp. Form.:
C26H27FN4O3
Mol. Mass.:
462.516
SMILES:
CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc2cc(F)cnc12 |r,wU:17.22,7.8,wD:14.15,(19.91,-58.3,;20.69,-56.97,;19.15,-56.96,;20.69,-55.43,;22.16,-54.95,;22.64,-53.49,;23.07,-56.2,;22.16,-57.45,;22.99,-58.73,;22.28,-60.1,;23.11,-61.4,;24.65,-61.33,;25.35,-59.95,;24.52,-58.66,;24.61,-56.2,;25.38,-57.54,;26.91,-57.54,;27.69,-56.2,;26.91,-54.86,;25.37,-54.87,;29.23,-56.2,;30,-57.53,;29.23,-58.87,;31.54,-57.53,;32.3,-56.2,;33.84,-56.19,;34.62,-57.53,;33.85,-58.86,;34.62,-60.19,;33.86,-61.52,;34.63,-62.85,;32.31,-61.52,;31.54,-60.19,;32.31,-58.86,)|
Structure:
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