Reaction Details Report a problem with these data
Target
Pirin
Ligand
BDBM50428286
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:
BDBM50428286
Synonyms:
DABRAFENIB | GSK2118436A
Type:
Small organic molecule
Emp. Form.:
C23H20F3N5O2S2
Mol. Mass.:
519.562
SMILES:
CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Structure:
Search PDB for entries with ligand similarity: