Reaction Details Report a problem with these data
Target
Protein mono-ADP-ribosyltransferase PARP16
Ligand
BDBM431646
Substrate
n/a
Meas. Tech.
ChEMBL_2211557 (CHEMBL5124506)
IC50
25000±n/a nM
Citation
 Nizi, MG; Maksimainen, MM; Lehtiö, L; Tabarrini, O Medicinal Chemistry Perspective on Targeting Mono-ADP-Ribosylating PARPs with Small Molecules. J Med Chem 65:7532-7560 (2022) [PubMed] 
Target
Name:
Protein mono-ADP-ribosyltransferase PARP16
Synonyms:
2.4.2.30 | ADP-ribosyltransferase diphtheria toxin-like 15 | ARTD15 | C15orf30 | Mono [ADP-ribose] polymerase PARP16 | PAR16_HUMAN | PARP-16 | PARP16 | Poly [ADP-ribose] polymerase 16 | Synonyms=ARTD15
Type:
PROTEIN
Mol. Mass.:
36398.93
Organism:
Homo sapiens (Human)
Description:
ChEMBL_117586
Residue:
322
Sequence:
MQPSGWAAAREAAGRDMLAADLRCSLFASALQSYKRDSVLRPFPASYARGDCKDFEALLADASKLPNLKELLQSSGDNHKRAWDLVSWILSSKVLTIHSAGKAEFEKIQKLTGAPHTPVPAPDFLFEIEYFDPANAKFYETKGERDLIYAFHGSRLENFHSIIHNGLHCHLNKTSLFGEGTYLTSDLSLALIYSPHGHGWQHSLLGPILSCVAVCEVIDHPDVKCQTKKKDSKEIDRRRARIKHSEGGDIPPKYFVVTNNQLLRVKYLLVYSQKPPKRASSQLSWFSSHWFTVMISLYLLLLLIVSVINSSAFQHFWNRAKR
  
Inhibitor
Name:
BDBM431646
Synonyms:
5-[[(2S)-1-(3-Oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1- yl]propoxy)propan-2-yl]amino]-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one | US10550105, Example 561 | US10550105, Example 661 | US10870641, Example 661 | US11014913, Example 661
Type:
Small organic molecule
Emp. Form.:
C20H23F6N7O3
Mol. Mass.:
523.4321
SMILES:
C[C@@H](COCCC(=O)N1CCN(CC1)c1ncc(cn1)C(F)(F)F)Nc1cn[nH]c(=O)c1C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: