Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50305086
Substrate
n/a
Meas. Tech.
ChEMBL_603076 (CHEMBL1048559)
Ki
>10000±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:
BDBM50305086
Synonyms:
21-nitro-7alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydrothebaine | CHEMBL592952
Type:
Small organic molecule
Emp. Form.:
C27H28N2O5
Mol. Mass.:
460.5216
SMILES:
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1cccc(c1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.62,;-6.24,-13.85,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.28,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.94,;-4.9,-20.79,;-6.37,-21.24,;-6.72,-22.74,;-3.53,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.79,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.89,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.86,;-.88,-26.16,;-.88,-27.7,;.45,-25.39,)|
Structure:
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