Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase 2
Ligand
BDBM50501829
Substrate
n/a
Meas. Tech.
ChEMBL_1805685 (CHEMBL4305044)
IC50
0.700000±n/a nM
Citation
 Velagapudi, UK; Langelier, MF; Delgado-Martin, C; Diolaiti, ME; Bakker, S; Ashworth, A; Patel, BA; Shao, X; Pascal, JM; Talele, TT Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J Med Chem 62:5330-5357 (2019) [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:
BDBM50501829
Synonyms:
CHEMBL4529965
Type:
Small organic molecule
Emp. Form.:
C27H21N5O5
Mol. Mass.:
495.4861
SMILES:
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2c(cccc2[nH]1)C(N)=O
Structure:
Search PDB for entries with ligand similarity: