Reaction Details Report a problem with these data
Target
Poly(ADP-ribose) glycohydrolase
Ligand
BDBM50350107
Substrate
n/a
Meas. Tech.
ChEMBL_159835 (CHEMBL765131)
IC50
1400±n/a nM
Citation
 Koh, DW; Coyle, DL; Mehta, N; Ramsinghani, S; Kim, H; Slama, JT; Jacobson, MK SAR analysis of adenosine diphosphate (hydroxymethyl)pyrrolidinediol inhibition of poly(ADP-ribose) glycohydrolase. J Med Chem 46:4322-32 (2003) [PubMed]  Article 
Target
Name:
Poly(ADP-ribose) glycohydrolase
Synonyms:
PARG | PARG_BOVIN | Poly [ADP-ribose] glycohydrolase
Type:
PROTEIN
Mol. Mass.:
110843.68
Organism:
Bos taurus
Description:
ChEMBL_159835
Residue:
977
Sequence:
MSAGPGCEPCTKRPRWDAAATSPPAASDARSFPGRQRRVLDSKDAPVQFRVPPSSSGCALGRAGQHRGSATSLVFKQKTITSWMDTKGIKTVESESLHSKENNNTREESMMSSVQKDNFYQHNMEKLENVSQLGFDKSPVEKGTQYLKQHQTAAMCKWQNEGPHSERLLESEPPAVTLVPEQFSNANVDQSSPKDDHSDTNSEESRDNQQFLTHVKLANAKQTMEDEQGREARSHQKCGKACHPAEACAGCQQEETDVVSESPLSDTGSEDVGTGLKNANRLNRQESSLGNSPPFEKESEPESPMDVDNSKNSCQDSEADEETSPGFDEQEDSSSAQTANKPSRFQPREADTELRKRSSAKGGEIRLHFQFEGGESRAGMNDVNAKRPGSTSSLNVECRNSKQHGRKDSKITDHFMRVPKAEDKRKEQCEMKHQRTERKIPKYIPPHLSPDKKWLGTPIEEMRRMPRCGIRLPPLRPSANHTVTIRVDLLRIGEVPKPFPTHFKDLWDNKHVKMPCSEQNLYPVEDENGERAAGSRWELIQTALLNRLTRPQNLKDAILKYNVAYSKKWDFTALIDFWDKVLEEAEAQHLYQSILPDMVKIALCLPNICTQPIPLLKQKMNHSITMSQEQIASLLANAFFCTFPRRNAKMKSEYSSYPDINFNRLFEGRSSRKPEKLKTLFCYFRRVTEKKPTGLVTFTRQSLEDFPEWERCEKLLTRLHVTYEGTIEGNGQGMLQVDFANRFVGGGVTSAGLVQEEIRFLINPELIVSRLFTEVLDHNECLIITGTEQYSEYTGYAETYRWARSHEDRSERDDWQRRTTEIVAIDALHFRRYLDQFVPEKIRRELNKAYCGFLRPGVSSENLSAVATGNWGCGAFGGDARLKALIQILAAAVAERDVVYFTFGDSELMRDIYSMHTFLTERKLTVGEVYKLLLRYYNEECRNCSTPGPDIKLYPFIYHAVESCTQTTNQPGQRTGA
  
Inhibitor
Name:
BDBM50350107
Synonyms:
CHEMBL1230692
Type:
Small organic molecule
Emp. Form.:
C15H24N6O12P2
Mol. Mass.:
542.3316
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2NC[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: