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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 | CHEMBL3361423 |
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Molecular formula | C23H31N5O |
IUPAC name | 2-(diaminomethylideneamino)-N-[(1,4-dibenzylpiperidin-4-yl)methyl]acetamide |
Molecular weight | 393.535 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 3 |
XlogP | 2.3 |
Synonyms | BDBM50029110 |
Inchi Key | JTMFELXZUJXDDO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H31N5O/c24-22(25)26-16-21(29)27-18-23(15-19-7-3-1-4-8-19)11-13-28(14-12-23)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,27,29)(H4,24,25,26) |
PubChem CID | 118724984 |
ChEMBL | CHEMBL3361423 |
IUPHAR | N/A |
BindingDB | 50029110 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 4247.0 nM | PMID25268943 | BindingDB,ChEMBL |
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