Reaction Details
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Poly [ADP-ribose] polymerase 2
Ligand
BDBM138348
Substrate
n/a
Meas. Tech.
ChEMBL_2238133 (CHEMBL5152029)
IC50
6600±n/a nM
Citation
Johannes, JW; Balazs, A; Barratt, D; Bista, M; Chuba, MD; Cosulich, S; Critchlow, SE; Degorce, SL; Di Fruscia, P; Edmondson, SD; Embrey, K; Fawell, S; Ghosh, A; Gill, SJ; Gunnarsson, A; Hande, SM; Heightman, TD; Hemsley, P; Illuzzi, G; Lane, J; Larner, C; Leo, E; Liu, L; Madin, A; Martin, S; McWilliams, L; O'Connor, MJ; Orme, JP; Pachl, F; Packer, MJ; Pei, X; Pike, A; Schimpl, M; She, H; Staniszewska, AD; Talbot, V; Underwood, E; Varnes, JG; Xue, L; Yao, T; Zhang, K; Zhang, AX; Zheng, X Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- J Med Chem 64:14498-14512 (2021) [PubMed] More Info.:
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:
BDBM138348
Synonyms:
US8877944, 99
Type:
Small organic molecule
Emp. Form.:
C20H24F3N3O2
Mol. Mass.:
395.4187
SMILES:
NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Structure:
