Reaction Details Report a problem with these data
Target
Glucokinase regulatory protein
Ligand
BDBM50500200
Substrate
n/a
Meas. Tech.
ChEMBL_1545299 (CHEMBL3751192)
IC50
11±n/a nM
Citation
 Pennington, LD; Bartberger, MD; Croghan, MD; Andrews, KL; Ashton, KS; Bourbeau, MP; Chen, J; Chmait, S; Cupples, R; Fotsch, C; Helmering, J; Hong, FT; Hungate, RW; Jordan, SR; Kong, K; Liu, L; Michelsen, K; Moyer, C; Nishimura, N; Norman, MH; Reichelt, A; Siegmund, AC; Sivits, G; Tadesse, S; Tegley, CM; Van, G; Yang, KC; Yao, G; Zhang, J; Lloyd, DJ; Hale, C; St Jean, DJ Discovery and Structure-Guided Optimization of Diarylmethanesulfonamide Disrupters of Glucokinase-Glucokinase Regulatory Protein (GK-GKRP) Binding: Strategic Use of a N ? S (nN ? ?*S-X) Interaction for Conformational Constraint. J Med Chem 58:9663-79 (2015) [PubMed]  Article 
Target
Name:
Glucokinase regulatory protein
Synonyms:
GCKR | GCKR_HUMAN | GKRP | Glucokinase regulator
Type:
PROTEIN
Mol. Mass.:
68685.97
Organism:
Homo sapiens (Human)
Description:
ChEMBL_103091
Residue:
625
Sequence:
MPGTKRFQHVIETPEPGKWELSGYEAAVPITEKSNPLTQDLDKADAENIVRLLGQCDAEIFQEEGQALSTYQRLYSESILTTMVQVAGKVQEVLKEPDGGLVVLSGGGTSGRMAFLMSVSFNQLMKGLGQKPLYTYLIAGGDRSVVASREGTEDSALHGIEELKKVAAGKKRVIVIGISVGLSAPFVAGQMDCCMNNTAVFLPVLVGFNPVSMARNDPIEDWSSTFRQVAERMQKMQEKQKAFVLNPAIGPEGLSGSSRMKGGSATKILLETLLLAAHKTVDQGIAASQRCLLEILRTFERAHQVTYSQSPKIATLMKSVSTSLEKKGHVYLVGWQTLGIIAIMDGVECIHTFGADFRDVRGFLIGDHSDMFNQKAELTNQGPQFTFSQEDFLTSILPSLTEIDTVVFIFTLDDNLTEVQTIVEQVKEKTNHIQALAHSTVGQTLPIPLKKLFPSIISITWPLLFFEYEGNFIQKFQRELSTKWVLNTVSTGAHVLLGKILQNHMLDLRISNSKLFWRALAMLQRFSGQSKARCIESLLRAIHFPQPLSDDIRAAPISCHVQVAHEKEQVIPIALLSLLFRCSITEAQAHLAAAPSVCEAVRSALAGPGQKRTADPLEILEPDVQ
  
Inhibitor
Name:
BDBM50500200
Synonyms:
CHEMBL3746444
Type:
Small organic molecule
Emp. Form.:
C25H24ClFN4O3S2
Mol. Mass.:
547.064
SMILES:
CC(C)(O)c1ccnc(c1)-c1cccc2cc(sc12)[C@H](NS(=O)(=O)C1CC1)c1nc(N)c(F)cc1Cl |r|
Structure:
Search PDB for entries with ligand similarity: