Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50408804
Substrate
n/a
Meas. Tech.
ChEMBL_2267988
Ki
4424±n/a nM
Citation
 Huang, H; Li, X; Xie, P; Li, X; Xu, X; Qian, Y; Yuan, C; Meng, X; Chai, J; Chen, J; Liu, J; Wang, W; Li, W; Wang, Y; Fu, W; Liu, J Discovery, Structure-Activity Relationship, and Mechanistic Studies of 1-((3 J Med Chem 64:9458-9483 (2021) [PubMed] 
Target
Name:
Kappa-type opioid receptor
Synonyms:
K-OR-1 | KOR-1 | Kappa-opioid receptor (KOR) | Kappa-type opioid receptor (KOPR) | Kappa-type opioid receptor (KOR) | Kappa-type opioid receptor (Kappa) | OPIATE Kappa | OPRK | OPRK1 | OPRK_HUMAN | kappa opioid receptor (KOR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42648.76
Organism:
Homo sapiens (Human)
Description:
P41145
Residue:
380
Sequence:
MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
  
Inhibitor
Name:
BDBM50408804
Synonyms:
CHEMBL5290025
Type:
Small organic molecule
Emp. Form.:
C25H28F6N2O3
Mol. Mass.:
518.4918
SMILES:
COc1cccc(c1)C1(O)CCN(CC1CN(C)C)C(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: