Reaction Details |
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Target | Poly [ADP-ribose] polymerase 1 |
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Ligand | BDBM27503 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_975896 (CHEMBL2415545) |
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IC50 | 250±n/a nM |
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Citation | Woon, EC; Sunderland, PT; Paine, HA; Lloyd, MD; Thompson, AS; Threadgill, MD One-pot tandem Hurtley-retro-Claisen-cyclisation reactions in the synthesis of 3-substituted analogues of 5-aminoisoquinolin-1-one (5-AIQ), a water-soluble inhibitor of PARPs. Bioorg Med Chem21:5218-27 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Poly [ADP-ribose] polymerase 1 |
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Name: | Poly [ADP-ribose] polymerase 1 |
Synonyms: | ADPRT | PARP1 | PARP1_BOVIN |
Type: | PROTEIN |
Mol. Mass.: | 113518.81 |
Organism: | Bos taurus |
Description: | ChEMBL_1288125 |
Residue: | 1016 |
Sequence: | MAESSDKLYRVEYAKSGRASCKKCKESIPKDSIRMAFMVESPMFDGKIPHWYHLSCFWKV
GFSIWHPDVEVEGFSELRWDDQQTIKKMAETGGRTDVSGKGQDGVGSKTEKTLIDFGAGY
AKSNRSTCKSCMEKIDKGQVRLSKKVVYPDKPQLGMVDCWYHPKCFVQKREELGFRPEFS
ATHLMGFSVLTAEDQETLKKQLPAIKGERKRKGDEVDGIDEVTKKKSKKEKDKEIKLEKA
LKAQNDLIWNVKDELKKACSTNDLKELLIFNKQEVPSGESAILDRVADGMVFGALLPCEE
CSGQLVFKGDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPKEFREISYFKKLKIKKQDRIF
PPESSTPVGAAAPPSAASAPAAVHSGPPDKPLSNMKILTLGKLSQNKDEVKATIEKLGGK
LTGTANKASLCISTKKEVDKLNKKMEEVKEANIRVVSEDFLQDISASTKSLQELLSTHLL
SPWGAEVKVEPVEAVGPKGKSGAAPSKKSKGPVKEEGTNKSEKRMKLTLKGGAAVDPDSG
LEHNAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLEDDKESRYWIFRSWGRVGTVIGS
NKLEQMPSKEDAIEHFMKLYEEKTGNAWHSKNFTKHPKKFYPLEIDYGQDEEAVKKLTVN
PGTKSKLPKPVQNLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQ
ALSQGSSDSHILDLSNRFYTLIPHDFGMKKPPLLNNANSVQAKVEMLDNLLDIEVAYSLL
RGGSDDSSKDPIDVNYEKLKTDIKVVDKDSEEAEIIRKYVKNTHATTHNAYDLEVVDIFK
IEREGESQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFA
DMVSKSANYCHTSQGDPIGLILLGEAALGNMYELKHARHISKLPKGKHSVKGLGKTTPDP
SASITVDGVEVPLGTGISSGVNDTCLLYNEYIVYDIAQVHLKYLLKLKFNFKTSLW
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BDBM27503 |
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n/a |
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Name | BDBM27503 |
Synonyms: | 5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-aminoisoquinolin-1(2H)-one | CHEMBL446240 |
Type | Small organic molecule |
Emp. Form. | C9H8N2O |
Mol. Mass. | 160.1726 |
SMILES | Nc1cccc2c1cc[nH]c2=O |
Structure |
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