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Name | Kappa-type opioid receptor |
---|---|
Species | Cavia porcellus (Guinea pig) |
Gene | OPRK1 |
Synonym | K-OR-1 KOR-1 |
Disease | N/A for non-human GPCRs |
Length | 380 |
Amino acid sequence | MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV |
UniProt | P41144 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3952 |
IUPHAR | N/A |
DrugBank | N/A |
Name | AC1MHY5M |
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Molecular formula | C26H26N2O3 |
IUPAC name | (21S)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol |
Molecular weight | 414.505 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 3.3 |
Synonyms | (21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol (8R)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol BDBM21864 |
Inchi Key | WIYUZYBFCWCCQJ-XEWUMVRVSA-N |
Inchi ID | InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1 |
PubChem CID | 3034754 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 21864 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 100.0 nM | PMID1335078 | BindingDB |
IC50 | 2000.0 nM | PMID8021929 | BindingDB |
Ki | 6.0 nM | PMID12565965 | BindingDB |
Ki | 7.44 nM | PMID18637671 | BindingDB |
Ki | 7.8 nM | PMID9686407 | BindingDB |
Ki | 8.8 nM | PMID14998329 | BindingDB |
Ki | 8.9 nM | PMID12431065, PMID10229636, PMID10617086 | BindingDB |
Ki | 9.04 nM | PMID22967810 | BindingDB |
Ki | 10.0 nM | PMID12930147 | BindingDB |
Ki | 14.0 nM | PMID11294396, PMID22197670, PMID8126697, PMID19362480 | BindingDB |
Ki | 14.9 nM | PMID17402725 | BindingDB |
Ki | 16.0 nM | PMID12431065 | BindingDB |
Ki | 20.0 nM | PMID9667975 | BindingDB |
Ki | 30.0 nM | PMID9871544, PMID10229636, PMID10617086 | BindingDB |
Ki | 30.4 nM | PMID18637671 | BindingDB |
Ki | 34.0 nM | PMID9667975 | BindingDB |
Ki | 36.0 nM | PMID12565965, PMID10479286 | BindingDB |
Ki | 75.0 nM | PMID14998329 | BindingDB |
Ki | 332.0 nM | PMID7853332, PMID8021929, PMID2160538, PMID1333013, PMID1648136 | BindingDB |
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