Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50122519
Substrate
n/a
Meas. Tech.
ChEMBL_145111 (CHEMBL751994)
IC50
>9500±n/a nM
Citation
 Hanessian, S; Parthasarathy, S; Mauduit, M; Payza, K The power of visual imagery in drug design. Isopavines as a new class of morphinomimetics and their human opioid receptor binding activity. J Med Chem 46:34-48 (2002) [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:
BDBM50122519
Synonyms:
16,17-dimethyl-13-methylcarbonyloxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaen-4-yl acetate
Type:
Small organic molecule
Emp. Form.:
C22H25NO4
Mol. Mass.:
367.4382
SMILES:
C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1C |wU:2.2,13.27,12.12,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-3.93,;9.36,-5.02,;5.54,-3.76,;5.54,-2.22,;5.54,-.66,;6.87,.11,;6.87,1.65,;8.2,2.42,;8.2,3.96,;9.53,1.65,;8.2,-.66,;8.2,-2.22,;6.87,-2.99,;7.08,-6.84,;5.54,-6.84,;4.21,-6.07,;2.88,-6.84,;1.54,-6.07,;1.54,-4.53,;.19,-3.74,;.19,-2.2,;1.54,-1.45,;-1.14,-1.42,;2.88,-3.76,;4.21,-4.53,;8.52,-6.3,;9.48,-7.5,)|
Structure:
Search PDB for entries with ligand similarity: