Reaction Details Report a problem with these data
Target
Pirin
Ligand
BDBM50029085
Substrate
n/a
Meas. Tech.
ChEMBL_1830006 (CHEMBL4329880)
IC50
>10000±n/a nM
Citation
 Meyers, J; Chessum, NEA; Ali, S; Mok, NY; Wilding, B; Pasqua, AE; Rowlands, M; Tucker, MJ; Evans, LE; Rye, CS; O'Fee, L; Le Bihan, YV; Burke, R; Carter, M; Workman, P; Blagg, J; Brown, N; van Montfort, RLM; Jones, K; Cheeseman, MD Privileged Structures and Polypharmacology within and between Protein Families. ACS Med Chem Lett 9:1199-1204 (2018) [PubMed]  Article 
Target
Name:
Pirin
Synonyms:
PIR | PIR_HUMAN | Probable quercetin 2,3-dioxygenase PIR | Probable quercetinase
Type:
PROTEIN
Mol. Mass.:
32115.50
Organism:
Homo sapiens (Human)
Description:
ChEMBL_811273
Residue:
290
Sequence:
MGSSKKVTLSVLSREQSEGVGARVRRSIGRPELKNLDPFLLFDEFKGGRPGGFPDHPHRGFETVSYLLEGGSMAHEDFCGHTGKMNPGDLQWMTAGRGILHAEMPCSEEPAHGLQLWVNLRSSEKMVEPQYQELKSEEIPKPSKDGVTVAVISGEALGIKSKVYTRTPTLYLDFKLDPGAKHSQPIPKGWTSFIYTISGDVYIGPDDAQQKIEPHHTAVLGEGDSVQVENKDPKRSHFVLIAGEPLREPVIQHGPFVMNTNEEISQAILDFRNAKNGFERAKTWKSKIGN
  
Inhibitor
Name:
BDBM50029085
Synonyms:
CHEBI:83405 | CHEMBL525191 | GDC-0879
Type:
Small organic molecule
Emp. Form.:
C19H18N4O2
Mol. Mass.:
334.3718
SMILES:
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O
Structure:
Search PDB for entries with ligand similarity: