Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50121312
Substrate
n/a
Meas. Tech.
ChEMBL_147244 (CHEMBL755512)
Ki
190±n/a nM
Citation
 Halab, L; Becker, JA; Darula, Z; Tourwé, D; Kieffer, BL; Simonin, F; Lubell, WD Probing opioid receptor interactions with azacycloalkane amino acids. Synthesis of a potent and selective ORL1 antagonist. J Med Chem 45:5353-7 (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:
BDBM50121312
Synonyms:
Ac-Arg-D-Cha-I2aa-D-Arg-D-pClPhe-NH2 | CHEMBL266609
Type:
Small organic molecule
Emp. Form.:
C40H62ClN13O7S
Mol. Mass.:
904.521
SMILES:
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Structure:
Search PDB for entries with ligand similarity: