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Target
Poly [ADP-ribose] polymerase 2
Ligand
BDBM50446537
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
1760±n/a nM
Citation
 Bregman, H; Buchanan, JL; Chakka, N; Dimauro, EF; Gunaydin, H; Guzman-Perez, A; Hua, Z; Huang, X Quinazolinone compounds and derivatives thereof US Patent  US9505749 Publication Date 11/29/2016 
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:
BDBM50446537
Synonyms:
CHEMBL3110100 | US9505749, 106
Type:
Small organic molecule
Emp. Form.:
C24H24N4O3S
Mol. Mass.:
448.537
SMILES:
O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N |r,wU:20.25,wD:17.18,(59.2,-17.39,;59.2,-18.93,;57.86,-19.7,;56.53,-18.93,;55.19,-19.69,;53.86,-18.92,;52.51,-19.69,;51.18,-18.92,;49.85,-19.68,;48.51,-18.91,;48.51,-17.37,;49.84,-16.6,;51.18,-17.36,;52.52,-16.58,;52.52,-15.04,;53.86,-17.36,;60.53,-19.71,;61.86,-18.92,;63.2,-19.69,;64.53,-18.91,;64.52,-17.37,;63.17,-16.61,;61.85,-17.39,;65.85,-16.59,;67.19,-17.35,;67.2,-18.89,;68.54,-19.64,;69.87,-18.86,;69.85,-17.31,;68.51,-16.56,;71.21,-19.62,;72.55,-20.37,)|
Structure:
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