Reaction Details  Report a problem with these data
Target
G protein-activated inward rectifier potassium channel 1
Ligand
BDBM50613993
Substrate
n/a
Meas. Tech.
ChEMBL_2295209
IC50
200±n/a nM
Citation
 Peukert, S; Gulgeze Efthymiou, HB; Mo, R; Peng, Y; Ma, F; Barbe, G; Bebernitz, G; Fridrich, C; Buono, C; Williams, ET; Daniels, T; Li, L; Zhang, X; Adachi, Y; Abe, M; Taggart, AKP Discovery of a brain-sparing GIRK1/4 inhibitor for pharmacological cardioversion of atrial fibrillation. Bioorg Med Chem Lett 85:0 (2023) [PubMed]
Target
Name:
G protein-activated inward rectifier potassium channel 1
Synonyms:
GIRK-1 | GIRK1 | Inward rectifier K(+) channel Kir3.1 | KCNJ3 | KCNJ3_HUMAN | Potassium channel, inwardly rectifying subfamily J member 3
Type:
PROTEIN
Mol. Mass.:
56610.74
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107915
Residue:
501
Sequence:
MSALRRKFGDDYQVVTTSSSGSGLQPQGPGQDPQQQLVPKKKRQRFVDKNGRCNVQHGNLGSETSRYLSDLFTTLVDLKWRWNLFIFILTYTVAWLFMASMWWVIAYTRGDLNKAHVGNYTPCVANVYNFPSAFLFFIETEATIGYGYRYITDKCPEGIILFLFQSILGSIVDAFLIGCMFIKMSQPKKRAETLMFSEHAVISMRDGKLTLMFRVGNLRNSHMVSAQIRCKLLKSRQTPEGEFLPLDQLELDVGFSTGADQLFLVSPLTICHVIDAKSPFYDLSQRSMQTEQFEIVVILEGIVETTGMTCQARTSYTEDEVLWGHRFFPVISLEEGFFKVDYSQFHATFEVPTPPYSVKEQEEMLLMSSPLIAPAITNSKERHNSVECLDGLDDITTKLPSKLQKITGREDFPKKLLRMSSTTSEKAYSLGDLPMKLQRISSVPGNSEEKLVSKTTKMLSDPMSQSVADLPPKLQKMAGGAARMEGNLPAKLRKMNSDRFT
  
Inhibitor
Name:
BDBM50613993
Synonyms:
CHEMBL5286246
Type:
Small organic molecule
Emp. Form.:
C16H8Cl2FN3O
Mol. Mass.:
348.159
SMILES:
Cc1cc(=O)c2c(F)cncc2n1-c1c(Cl)cc(cc1Cl)C#N |(3.33,-1.54,;2,-2.31,;2,-3.85,;.66,-4.62,;.66,-6.16,;-.67,-3.85,;-2,-4.62,;-2,-6.16,;-3.33,-3.86,;-3.33,-2.31,;-2,-1.54,;-.67,-2.31,;.66,-1.54,;.66,0,;-.67,.77,;-2.01,0,;-.67,2.31,;.66,3.08,;1.99,2.31,;2,.78,;3.33,.01,;.66,4.62,;.66,6.16,)|
Structure:
Search PDB for entries with ligand similarity: