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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 | CHEMBL3965992 |
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Molecular formula | C42H56N8O5 |
IUPAC name | (2S)-N-[(2S)-6-amino-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]hexan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide |
Molecular weight | 752.961 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 6 |
XlogP | 3.8 |
Synonyms | N/A |
Inchi Key | BPXPUEDLWGZNNF-ZYXDSXQBSA-N |
Inchi ID | InChI=1S/C42H56N8O5/c1-28(2)25-35(47-40(53)36(27-30-15-7-4-8-16-30)46-38(51)32(44)26-29-13-5-3-6-14-29)39(52)45-34(18-11-12-22-43)41(54)49-23-20-31(21-24-49)50-37-19-10-9-17-33(37)48-42(50)55/h3-10,13-17,19,28,31-32,34-36H,11-12,18,20-27,43-44H2,1-2H3,(H,45,52)(H,46,51)(H,47,53)(H,48,55)/t32-,34-,35-,36-/m0/s1 |
PubChem CID | 134151083 |
ChEMBL | CHEMBL3965992 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 0.0052 nM | None | ChEMBL |
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