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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 | Diprenorphine |
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Molecular formula | C26H35NO4 |
IUPAC name | (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol |
Molecular weight | 425.569 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.6 |
Synonyms | 14357-78-9 21-Cyclopropyl-6,7,8,14-tetrahydro-7alpha-(1-hydroxy-1-methylethyl)-6,14-endo-ethanooripavine API0004768 Diprenorphine [INN:BAN] M 5050 Injection [ Show all ] |
Inchi Key | OIJXLIIMXHRJJH-KNLIIKEYSA-N |
Inchi ID | InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1 |
PubChem CID | 443408 |
ChEMBL | CHEMBL281786 |
IUPHAR | 1617 |
BindingDB | 50001714 |
DrugBank | DB01548 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
N/A | N/A | DrugBank | |
Kd | 1.1 nM | PMID24121503 | BindingDB |
Ki | 0.01 nM | PMID8114680 | BindingDB |
Ki | 0.02 nM | PMID24933507 | ChEMBL |
Ki | 0.02 nM | PMID24933507 | BindingDB |
Ki | 0.199526 - 0.251189 nM | PMID9686407, PMID7869844, PMID9262330 | IUPHAR |
Ki | 0.2 nM | PMID9686407 | BindingDB |
Ki | 0.28 nM | PMID10780914 | BindingDB,ChEMBL |
Ki | 0.37 nM | PMID10780914 | BindingDB,ChEMBL |
Ki | 0.38 nM | PMID10780914 | BindingDB,ChEMBL |
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