Target
Kappa-type opioid receptor
Ligand
BDBM54809
Substrate
n/a
Meas. Tech.
HTS Image-Based Screen for Selective Antagonists of the KOR Receptor
IC50
516±155 nM
Citation
 PubChem, PC HTS Image-Based Screen for Selective Antagonists of the KOR Receptor PubChem Bioassay (2009)[AID] 
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:
BDBM54809
Synonyms:
(2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]propionic acid | (2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]propionic acid;hydrochloride | (2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]-1,2,3-triazol-4-yl]-5-piperazin-1-ylcarbonyl-phenyl]-1,2,3-triazol-1-yl]propanoic acid;hydrochloride | (2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]-4-triazolyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-1-triazolyl]propanoic acid;hydrochloride | (2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]propanoic acid;hydrochloride | LU-MONO-WY-DP | MLS000560608 | SMR000327514 | cid_16129550
Type:
Small organic molecule
Emp. Form.:
C36H35N9O6
Mol. Mass.:
689.7198
SMILES:
COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N1CCNCC1
Structure:
Search PDB for entries with ligand similarity: