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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 | CHEMBL3958575 |
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Molecular formula | C35H53N11O4 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-(4-carbamimidoyl-1,4-diazepan-1-yl)-4-(diaminomethylideneamino)-1-oxobutan-2-yl]-4-methylpentanamide |
Molecular weight | 691.882 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 8 |
XlogP | 0.5 |
Synonyms | N/A |
Inchi Key | AXFXBIRQMYQRIW-DZUOILHNSA-N |
Inchi ID | InChI=1S/C35H53N11O4/c1-23(2)20-28(31(48)42-27(14-15-41-34(37)38)33(50)45-16-9-17-46(19-18-45)35(39)40)44-32(49)29(22-25-12-7-4-8-13-25)43-30(47)26(36)21-24-10-5-3-6-11-24/h3-8,10-13,23,26-29H,9,14-22,36H2,1-2H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)(H4,37,38,41)/t26-,27-,28-,29-/m0/s1 |
PubChem CID | 134155638 |
ChEMBL | CHEMBL3958575 |
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 | 0.17 nM | None | ChEMBL |
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