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Target
Poly [ADP-ribose] polymerase 2
Ligand
BDBM50318567
Substrate
n/a
Meas. Tech.
ChEMBL_977442 (CHEMBL2422477)
IC50
106±n/a nM
Citation
 Shultz, MD; Cheung, AK; Kirby, CA; Firestone, B; Fan, J; Chen, CH; Chen, Z; Chin, DN; Dipietro, L; Fazal, A; Feng, Y; Fortin, PD; Gould, T; Lagu, B; Lei, H; Lenoir, F; Majumdar, D; Ochala, E; Palermo, MG; Pham, L; Pu, M; Smith, T; Stams, T; Tomlinson, RC; Touré, BB; Visser, M; Wang, RM; Waters, NJ; Shao, W Identification of NVP-TNKS656: the use of structure-efficiency relationships to generate a highly potent, selective, and orally active tankyrase inhibitor. J Med Chem 56:6495-511 (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:
BDBM50318567
Synonyms:
2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano-[4,3-d]pyrimidin-4-ol | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol | CHEMBL1086580
Type:
Small organic molecule
Emp. Form.:
C14H11F3N2OS
Mol. Mass.:
312.31
SMILES:
FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: