Reaction Details Report a problem with these data
Target
ATP-sensitive inward rectifier potassium channel 1
Ligand
BDBM50505262
Substrate
n/a
Meas. Tech.
ChEMBL_1822296 (CHEMBL4322060)
Ki
2.0±n/a nM
Citation
 Aretz, CD; Vadukoot, AK; Hopkins, CR Discovery of Small Molecule Renal Outer Medullary Potassium (ROMK) Channel Inhibitors: A Brief History of Medicinal Chemistry Approaches To Develop Novel Diuretic Therapeutics. J Med Chem 62:8682-8694 (2019) [PubMed]  Article 
Target
Name:
ATP-sensitive inward rectifier potassium channel 1
Synonyms:
ATP-regulated potassium channel ROM-K | ATP-regulated potassium channel ROMK | ATP-sensitive inward rectifier potassium channel 1 | Egl nine homolog 1 | KCNJ1 | KCNJ1_HUMAN | Potassium channel (ATP modulatory) | Potassium inwardly-rectifying channel, subfamily J, member 1 | ROMK1 | Renal Outer Medullary Potassium (ROMK1) | The Renal Outer Medullary Potassium (ROMK)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44809.08
Organism:
Homo sapiens (Human)
Description:
gi_223460826
Residue:
391
Sequence:
MNASSRNVFDTLIRVLTESMFKHLRKWVVTRFFGHSRQRARLVSKDGRCNIEFGNVEAQSRFIFFVDIWTTVLDLKWRYKMTIFITAFLGSWFFFGLLWYAVAYIHKDLPEFHPSANHTPCVENINGLTSAFLFSLETQVTIGYGFRCVTEQCATAIFLLIFQSILGVIINSFMCGAILAKISRPKKRAKTITFSKNAVISKRGGKLCLLIRVANLRKSLLIGSHIYGKLLKTTVTPEGETIILDQININFVVDAGNENLFFISPLTIYHVIDHNSPFFHMAAETLLQQDFELVVFLDGTVESTSATCQVRTSYVPEEVLWGYRFAPIVSKTKEGKYRVDFHNFSKTVEVETPHCAMCLYNEKDVRARMKRGYDNPNFILSEVNETDDTKM
  
Inhibitor
Name:
BDBM50505262
Synonyms:
CHEMBL4559408
Type:
Small organic molecule
Emp. Form.:
C106H176N34O23S5
Mol. Mass.:
2455.071
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: