Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50305085
Substrate
n/a
Meas. Tech.
ChEMBL_603076 (CHEMBL1048559)
Ki
>5000±n/a nM
Citation
 Li, W; Tao, YM; Tang, Y; Xu, XJ; Chen, J; Fu, W; Wang, XH; Chao, B; Sheng, W; Xie, Q; Qiu, ZB; Liu, JG Highly selective and potent mu opioid ligands by unexpected substituent on morphine skeleton. Bioorg Med Chem Lett 20:418-21 (2010) [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:
BDBM50305085
Synonyms:
8alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydrothebaine | CHEMBL594124
Type:
Small organic molecule
Emp. Form.:
C27H29NO3
Mol. Mass.:
415.5241
SMILES:
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2ccccc2)[C@]35C=C1)OC |r,wU:7.7,17.35,wD:13.13,12.18,26.32,19.22,c:33,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.17,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.22,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.91,-1.91,;-5.25,-5.76,;-3.91,-6.53,;-2.58,-5.76,;-1.25,-6.53,;-1.25,-8.07,;.08,-8.84,;1.42,-8.07,;1.41,-6.53,;.08,-5.76,;-2.58,-4.23,;-3.89,-4.21,;-3.89,-5.84,;-6.73,-6.21,;-7.07,-7.71,)|
Structure:
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