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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 | DSLET |
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Molecular formula | C33H46N6O10 |
IUPAC name | (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid |
Molecular weight | 686.763 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 10 |
XlogP | -3.0 |
Synonyms | C33H46N6O10 Enkephalin, Ser(2), Leu(5), Thr(6)- Leu-enkephalin, ser(2)-thr- ZINC27215004 (2S,5S,8S,14R,17S)-17-amino-8-benzyl-2-((R)-1-hydroxyethyl)-14-(hydroxymethyl)-18-(4-hydroxyphenyl)-5-isobutyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecan-1-oic acid [ Show all ] |
Inchi Key | PKSODCLCMBUCPW-LVNBQDLPSA-N |
Inchi ID | InChI=1S/C33H46N6O10/c1-18(2)13-24(32(47)39-28(19(3)41)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-30(45)26(17-40)38-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,48,49)/t19-,23+,24+,25+,26-,28+/m1/s1 |
PubChem CID | 107847 |
ChEMBL | CHEMBL124283 |
IUPHAR | 1609 |
BindingDB | 50018708 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | <10000.0 nM | PMID9686407 | BindingDB |
Ki | 40.5 nM | PMID7932177 | BindingDB |
Ki | 1000.0 nM | PMID8114680 | BindingDB |
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