Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50506108
Substrate
n/a
Meas. Tech.
ChEMBL_2131565 (CHEMBL4841080)
Ki
0.470000±n/a nM
Citation
 He, Q; Wei, Y; Liu, X; Ye, R; Kong, L; Li, Z; Jiang, S; Yu, L; Chai, J; Xie, Q; Fu, W; Wang, Y; Li, W; Qiu, Z; Liu, J; Shao, L Discovery of an  J Med Chem 64:12414-12433 (2021) [PubMed]  Article 
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:
BDBM50506108
Synonyms:
CHEMBL4449252
Type:
Small organic molecule
Emp. Form.:
C37H40N2O4
Mol. Mass.:
576.7245
SMILES:
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)c1ccc(NC(=O)c2ccccc2)cc1)ccc3OC |r,THB:10:9:17:4.5.6|
Structure:
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