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Target
Protein mono-ADP-ribosyltransferase PARP11
Ligand
BDBM431646
Substrate
n/a
Meas. Tech.
ChEMBL_2211540 (CHEMBL5124489)
IC50
>50000±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]  Article
Target
Name:
Protein mono-ADP-ribosyltransferase PARP11
Synonyms:
2.4.2.30 | ADP-ribosyltransferase diphtheria toxin-like 11 | ARTD11 | C12orf6 | PAR11_HUMAN | PARP-11 | PARP11 | Poly [ADP-ribose] polymerase 11
Type:
PROTEIN
Mol. Mass.:
39601.40
Organism:
Homo sapiens
Description:
ChEMBL_107591
Residue:
338
Sequence:
MWEANPEMFHKAEELFSKTTNNEVDDMDTSDTQWGWFYLAECGKWHMFQPDTNSQCSVSSEDIEKSFKTNPCGSISFTTSKFSYKIDFAEMKQMNLTTGKQRLIKRAPFSISAFSYICENEAIPMPPHWENVNTQVPYQLIPLHNQTHEYNEVANLFGKTMDRNRIKRIQRIQNLDLWEFFCRKKAQLKKKRGVPQINEQMLFHGTSSEFVEAICIHNFDWRINGIHGAVFGKGTYFARDAAYSSRFCKDDIKHGNTFQIHGVSLQQRHLFRTYKSMFLARVLIGDYINGDSKYMRPPSKDGSYVNLYDSCVDDTWNPKIFVVFDANQIYPEYLIDFH
  
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:
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