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Target
Poly [ADP-ribose] polymerase 1
Ligand
BDBM50462626
Substrate
n/a
Meas. Tech.
ChEMBL_1776112 (CHEMBL4233104)
Kd
1250±n/a nM
Citation
 Di Micco, S; Pulvirenti, L; Bruno, I; Terracciano, S; Russo, A; Vaccaro, MC; Ruggiero, D; Muccilli, V; Cardullo, N; Tringali, C; Riccio, R; Bifulco, G Identification by Inverse Virtual Screening of magnolol-based scaffold as new tankyrase-2 inhibitors. Bioorg Med Chem 26:3953-3957 (2018) [PubMed]  Article 
Target
Name:
Poly [ADP-ribose] polymerase 1
Synonyms:
PARP1_HUMAN | Poly [ADP-ribose] polymerase-1 | Poly(ADP-ribose) polymerase-1 (ARTD1/PARP1) | NT-PARP-1 | Poly(ADP-ribose) polymerase 1 (PARP1) | ARTD1 | Poly [ADP-ribose] polymerase 1, 24-kDa form | Poly [ADP-ribose] polymerase 1, processed C-terminus | Poly [ADP-ribose] polymerase 1 (PARP1) | 2.4.2.- | DNA ADP-ribosyltransferase PARP1 | Poly[ADP-ribose] synthase 1 | Poly [ADP-ribose] polymerase 1, 89-kDa form | Poly [ADP-ribose] polymerase 1, 28-kDa form | PARP1 | (ARTD1 or PARP1) | Poly [ADP-ribose] polymerase 1, processed N-terminus | ADPRT 1 | PARP-1 | NAD(+) ADP-ribosyltransferase 1 | Protein poly-ADP-ribosyltransferase PARP1 | Poly [ADP-ribose] polymerase (PARP) | PPOL | ADP-ribosyltransferase diphtheria toxin-like 1 | 2.4.2.30 | ADPRT | Poly [ADP-ribose] polymerase 1 (PARP-1) | Synonyms=ADPRT | Human diphtheria toxin-like ADP-ribosyltransferase (ARTD1 or PARP1) | Poly [ADP-ribose] polymerase 1 (PARP)
Type:
Mol. Mass.:
113114.22
Organism:
Human
Description:
P09874
Residue:
1014
Sequence:
MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQDGIGSKAEKTLGDFAAEYAKSNRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQLKGFSLLATEDKEALKKQLPGVKSEGKRKGDEVDGVDEVAKKKSKKEKDKDSKLEKALKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADGMVFGALLPCEECSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPKEFREISYLKKLKVKKQDRIFPPETSASVAATPPPSTASAPAAVNSSASADKPLSNMKILTLGKLSRNKDEVKAMIEKLGGKLTGTANKASLCISTKKEVEKMNKKMEEVKEANIRVVSEDFLQDVSASTKSLQELFLAHILSPWGAEVKAEPVEVVAPRGKSGAALSKKSKGQVKEEGINKSEKRMKLTLKGGAAVDPDSGLEHSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLEDDKENRYWIFRSWGRVGTVIGSNKLEQMPSKEDAIEHFMKLYEEKTGNAWHSKNFTKYPKKFYPLEIDYGQDEEAVKKLTVNPGTKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKTSLW
  
Inhibitor
Name:
BDBM50462626
Synonyms:
CHEMBL4127893
Type:
Small organic molecule
Emp. Form.:
C18H18O3
Mol. Mass.:
282.34
SMILES:
Oc1cc(CC=C)cc(c1O)-c1cc(CC=C)ccc1O
Structure:
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