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Target
Poly [ADP-ribose] polymerase 1
Ligand
BDBM138302
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
90±n/a nM
Citation
 Papeo, GM; Anatolievna Busel, A; Khvat, A; Krasavin, MY; Forte, B; Zuccotto, F 3-oxo-2,3-dihydro-1H-isoindole-4-carboxamides as PARP inhibitors US Patent  US8877944 Publication Date 11/4/2014 
Target
Name:
Poly [ADP-ribose] polymerase 1
Synonyms:
Adprp | Adprt | Adprt1 | PARP1_MOUSE | Parp1 | Poly [ADP-ribose] polymerase 1 (Parp1) | Poly [ADP-ribose] polymerase-1
Type:
PROTEIN
Mol. Mass.:
113131.74
Organism:
Mus musculus
Description:
ChEMBL_159828
Residue:
1013
Sequence:
MAEASERLYRVQYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGQSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVAGKGQDGSGGKAEKTLGDFAAEYAKSNRSMCKGCLEKIEKGQMRLSKKMVDPEKPQLGMIDRWYHPTCFVKKRDELGFRPEYSASQLKGFSLLSAEDKEALKKQLPAIKNEGKRKGDEVDGTDEVAKKKSRKETDKYSKLEKALKAQNELIWNIKDELKKACSTNDLKELLIFNQQQVPSGESAILDRVADGMAFGALLPCKECSGQLVFKSDAYYCTGDVTAWTKCMVKTQNPSRKEWVTPKEFREISYLKKLKVKKQDRIFPPESSAPITVHWPLSVTSAPTAVNSSAPADKPLSNMKILTLGKLSQNKDEAKAVIEKLGGKLTGSANKASLCISIKKEVEKMNKKMEEVKEANIRVVSEDFLQDVSASTKSLQDLLSAHSLSPWGAEVKAEPGEVVAPRGKSAAPSKKSKGCFKEEGVNKSEKRMKLTLKGGAAVDPDSGLEHSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLEDDKESRYWIFRSWGRLGTVIGSNKLEQMPSKEEAVEQFMKLYEEKTGNAWHSKNFTKYPKKFYPLEIDYGQDEEAVKKLTVKPGTKSKLPKPVQELVGMIFDVDSMKKALVEYEIDLQKMPLGKLSRRQIQAAYSILSEVQQPVSQGSSESQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEVIRKYVKNTHATTHNAYDLEVIDIFKIEREGESQRYKPFRQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLIMLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSASITLEGVEVPLGTGIPSGVNDTALLYNEYIVYDIAQVNLKYLLKLKFNFKTSLW
  
Inhibitor
Name:
BDBM138302
Synonyms:
US8877944, 4
Type:
Small organic molecule
Emp. Form.:
C21H29N3O3
Mol. Mass.:
371.4733
SMILES:
NC(=O)c1cccc2CN(C3CCN(CC3)[C@H]3CC[C@H](CO)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(-5.63,-2.69,;-6.96,-1.93,;-8.29,-2.69,;-6.96,-.38,;-8.29,.38,;-8.29,1.93,;-6.96,2.69,;-5.63,1.93,;-4.16,2.4,;-3.26,1.15,;-1.72,1.15,;-.95,-.18,;.59,-.18,;1.36,1.15,;.59,2.49,;-.95,2.49,;2.9,1.15,;3.67,2.49,;5.21,2.49,;5.98,1.15,;7.52,1.15,;8.29,-.18,;5.21,-.18,;3.67,-.18,;-4.16,-.09,;-3.39,-1.42,;-5.63,.38,)|
Structure:
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