Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM114947
Substrate
n/a
Meas. Tech.
ChEMBL_1699987 (CHEMBL4050969)
Ki
1122±n/a nM
Citation
 Zheng, Z; Huang, XP; Mangano, TJ; Zou, R; Chen, X; Zaidi, SA; Roth, BL; Stevens, RC; Katritch, V Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor. J Med Chem 60:3070-3081 (2017) [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:
BDBM114947
Synonyms:
MLS001157951 | N-[2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-3,5,6-trimethyl-2-benzofurancarboxamide | N-[2-(2-furyl)-2-pyrrolidino-ethyl]-3,5,6-trimethyl-coumarilamide | N-[2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide | N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide | SMR000651416 | cid_16445678
Type:
Small organic molecule
Emp. Form.:
C22H26N2O3
Mol. Mass.:
366.4534
SMILES:
Cc1c(oc2cc(C)c(C)cc12)C(=O)NCC(N1CCCC1)c1ccco1
Structure:
Search PDB for entries with ligand similarity: