Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50463293
Substrate
n/a
Meas. Tech.
ChEMBL_1777972 (CHEMBL4234964)
Ki
2.1±n/a nM
Citation
 Sun, HJ; Wang, YH; Yuan, CM; Kong, LH; Xu, XJ; Wang, YJ; Wu, HH; Lin, C; Qian, YY; Huang, HM; Xiao, L; Liu, X; He, Q; Fang, SY; Xue, DQ; Yang, XC; Chen, H; Zheng, YL; Zheng, L; Yu, LQ; Xie, Q; Fu, W; Li, W; Liu, JG; Qiu, ZB; Shao, LM 7?-Methyl substituent is a structural locus associated with activity cliff for nepenthone analogues. Bioorg Med Chem 26:4254-4263 (2018) [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:
BDBM50463293
Synonyms:
CHEMBL4242847
Type:
Small organic molecule
Emp. Form.:
C33H41NO5
Mol. Mass.:
531.6823
SMILES:
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:17:5.6.4|
Structure:
Search PDB for entries with ligand similarity: