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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 | SCHEMBL16944858 |
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Molecular formula | C20H29N5O3 |
IUPAC name | 3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-(oxan-4-yl)piperidin-4-amine |
Molecular weight | 387.484 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 2.0 |
Synonyms | BDBM156536 US9682966, 320 |
Inchi Key | AJRVDRRSYXGILM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H29N5O3/c1-13-10-16(20-22-14(2)24-28-20)19(21-11-13)25-7-4-17(18(12-25)26-3)23-15-5-8-27-9-6-15/h10-11,15,17-18,23H,4-9,12H2,1-3H3 |
PubChem CID | 118263888 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 156536 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
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IC50 | 170.0 nM | N/A | BindingDB |
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