Reaction Details Report a problem with these data
Target
Pirin
Ligand
BDBM31088
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:
BDBM31088
Synonyms:
1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine | 1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-2-benzimidazolamine | CHIR-265 | [1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridyl]oxy]benzimidazol-2-yl]-[4-(trifluoromethyl)phenyl]amine | cid_11656518
Type:
Small organic molecule
Emp. Form.:
C24H16F6N6O
Mol. Mass.:
518.4139
SMILES:
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Structure:
Search PDB for entries with ligand similarity: