Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50580693
Substrate
n/a
Meas. Tech.
ChEMBL_2148890 (CHEMBL5033288)
Ki
220±n/a nM
Citation
 Muratspahi?, E; Toma?evi?, N; Koehbach, J; Duerrauer, L; Had?i?, S; Castro, J; Schober, G; Sideromenos, S; Clark, RJ; Brierley, SM; Craik, DJ; Gruber, CW Design of a Stable Cyclic Peptide Analgesic Derived from Sunflower Seeds that Targets the ?-Opioid Receptor for the Treatment of Chronic Abdominal Pain. J Med Chem 64:9042-9055 (2021) [PubMed]  Article 
Target
Name:
Kappa-type opioid receptor
Synonyms:
KOR-1 | MSL-1 | OPIATE Kappa | OPRK_MOUSE | Oprk1
Type:
Enzyme
Mol. Mass.:
42656.78
Organism:
Mus musculus (Mouse)
Description:
P33534
Residue:
380
Sequence:
MESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
  
Inhibitor
Name:
BDBM50580693
Synonyms:
CHEMBL5087018
Type:
Small organic molecule
Emp. Form.:
C107H168N34O23S2
Mol. Mass.:
2362.823
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|
Structure:
Search PDB for entries with ligand similarity: