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Target
Poly [ADP-ribose] polymerase 1
Ligand
BDBM50197598
Substrate
n/a
Meas. Tech.
ChEMBL_453265 (CHEMBL901413)
IC50
19±n/a nM
Citation
 Dunn, D; Husten, J; Ator, MA; Chatterjee, S Novel poly(ADP-ribose) polymerase-1 inhibitors. Bioorg Med Chem Lett 17:542-5 (2007) [PubMed]  Article 
Target
Name:
Poly [ADP-ribose] polymerase 1
Synonyms:
(ARTD1 or PARP1) | 2.4.2.- | 2.4.2.30 | ADP-ribosyltransferase diphtheria toxin-like 1 | ADPRT | ADPRT 1 | ARTD1 | DNA ADP-ribosyltransferase PARP1 | Human diphtheria toxin-like ADP-ribosyltransferase (ARTD1 or PARP1) | NAD(+) ADP-ribosyltransferase 1 | NT-PARP-1 | PARP-1 | PARP1 | PARP1_HUMAN | PPOL | Poly [ADP-ribose] polymerase (PARP) | Poly [ADP-ribose] polymerase 1 (PARP) | Poly [ADP-ribose] polymerase 1 (PARP-1) | Poly [ADP-ribose] polymerase 1 (PARP1) | Poly [ADP-ribose] polymerase 1, 24-kDa form | Poly [ADP-ribose] polymerase 1, 28-kDa form | Poly [ADP-ribose] polymerase 1, 89-kDa form | Poly [ADP-ribose] polymerase 1, processed C-terminus | Poly [ADP-ribose] polymerase 1, processed N-terminus | Poly [ADP-ribose] polymerase-1 | Poly(ADP-ribose) polymerase 1 (PARP1) | Poly(ADP-ribose) polymerase-1 (ARTD1/PARP1) | Poly[ADP-ribose] synthase 1 | Protein poly-ADP-ribosyltransferase PARP1 | Synonyms=ADPRT
Type:
n/a
Mol. Mass.:
113114.22
Organism:
Homo sapiens (Human)
Description:
P09874
Residue:
1014
Sequence:
MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQDGIGSKAEKTLGDFAAEYAKSNRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQLKGFSLLATEDKEALKKQLPGVKSEGKRKGDEVDGVDEVAKKKSKKEKDKDSKLEKALKAQNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADGMVFGALLPCEECSGQLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPKEFREISYLKKLKVKKQDRIFPPETSASVAATPPPSTASAPAAVNSSASADKPLSNMKILTLGKLSRNKDEVKAMIEKLGGKLTGTANKASLCISTKKEVEKMNKKMEEVKEANIRVVSEDFLQDVSASTKSLQELFLAHILSPWGAEVKAEPVEVVAPRGKSGAALSKKSKGQVKEEGINKSEKRMKLTLKGGAAVDPDSGLEHSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLEDDKENRYWIFRSWGRVGTVIGSNKLEQMPSKEDAIEHFMKLYEEKTGNAWHSKNFTKYPKKFYPLEIDYGQDEEAVKKLTVNPGTKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKTSLW
  
Inhibitor
Name:
BDBM50197598
Synonyms:
CHEMBL397773 | N-[4-(4,6-dioxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a]trinden-8-yl)-thiazol-2-yl]-guanidine
Type:
Small organic molecule
Emp. Form.:
C21H16N6O2S
Mol. Mass.:
416.456
SMILES:
NC(N)=Nc1nc(cs1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1 |(-7.55,-26.1,;-6.19,-25.38,;-6.13,-23.84,;-4.88,-26.2,;-3.52,-25.48,;-2.16,-26.15,;-1.09,-25.05,;-1.8,-23.7,;-3.31,-23.97,;.45,-25.2,;1.08,-26.59,;2.62,-26.73,;3.51,-25.48,;5.04,-25.33,;5.37,-23.82,;6.69,-23.05,;8.16,-23.52,;9.05,-22.29,;8.16,-21.04,;6.69,-21.51,;5.36,-20.75,;5.04,-19.23,;6.06,-18.09,;3.52,-19.08,;2.88,-20.47,;1.36,-20.76,;4.03,-21.52,;4.03,-23.05,;2.88,-24.1,;1.35,-23.95,)|
Structure:
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