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Name | Kappa-type opioid receptor |
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Species | Homo sapiens (Human) |
Gene | OPRK1 |
Synonym | K-OR-1 KOPr OP2 KOP KOR-1 [ Show all ] |
Disease | Obesity Opiate dependence Inflammatory bowel disease Erythema Diarrhea-predominant IBS [ Show all ] |
Length | 380 |
Amino acid sequence | MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV |
UniProt | P41145 |
Protein Data Bank | 6b73, 4djh |
GPCR-HGmod model | P41145 |
3D structure model | This structure is from PDB ID 6b73. |
BioLiP | BL0402244,BL0402246, BL0224693,BL0224694, BL0402243,BL0402245 |
Therapeutic Target Database | T60693 |
ChEMBL | CHEMBL237 |
IUPHAR | 318 |
DrugBank | BE0000632 |
Name | CHEMBL1256748 |
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Molecular formula | C22H32N2O2 |
IUPAC name | N-methyl-2-phenyl-N-[(5S,7S,8S)-8-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-7-yl]acetamide |
Molecular weight | 356.51 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 3.0 |
Synonyms | BDBM50381677 |
Inchi Key | PGJPPWQHDNODBR-JAXLGGSGSA-N |
Inchi ID | InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1 |
PubChem CID | 52947240 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50381677 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 8.0 nM | PMID25248680 | BindingDB |
EC50 | 12.0 nM | PMID25062506 | BindingDB |
EC50 | 13.0 nM | PMID22464684 | BindingDB |
EC50 | 26.0 nM | PMID23134120, PMID12672258 | BindingDB |
EC50 | 28.0 nM | PMID23200250 | BindingDB |
EC50 | 60.0 nM | PMID24657054 | BindingDB |
EC50 | 80.0 nM | PMID24856182, PMID20441176 | BindingDB |
EC50 | 207.0 nM | PMID17580847 | BindingDB |
EC50 | 534.0 nM | PMID24613457 | BindingDB |
IC50 | 8.0 nM | PMID20426456 | BindingDB |
Ki | 0.3 nM | PMID23134120, PMID12672258 | BindingDB |
Ki | 1.1 nM | PMID24657054, PMID12930147 | BindingDB |
Ki | 1.6 nM | PMID21866885 | BindingDB |
Ki | 3.5 nM | PMID25599950, PMID22341895 | BindingDB |
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