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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 | CHEMBL308813 |
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Molecular formula | C42H36Cl2N4O6S |
IUPAC name | 5-[[3-[(1S)-1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenyl]carbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid |
Molecular weight | 795.732 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 4.0 |
Synonyms | 3,4-Dichloro-N-methyl-N-[(S)-alpha-(pyrrolizinomethyl)-3-[3-[3-carboxy-4-(3-oxo-6-hydroxy-3H-xanthen-9-yl)phenyl]thioureido]benzyl]benzeneacetamide CHEMBL1907786 5-{3-[3-((S)-1-{[2-(3,4-Dichloro-phenyl)-acetyl]-methyl-amino}-2-pyrrolidin-1-yl-ethyl)-phenyl]-thioureido}-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid BDBM50290072 BDBM50369225 |
Inchi Key | BNQHZDZAQDLXCJ-PSXMRANNSA-N |
Inchi ID | InChI=1S/C42H36Cl2N4O6S/c1-47(39(51)18-24-7-14-34(43)35(44)17-24)36(23-48-15-2-3-16-48)25-5-4-6-26(19-25)45-42(55)46-27-8-11-30(33(20-27)41(52)53)40-31-12-9-28(49)21-37(31)54-38-22-29(50)10-13-32(38)40/h4-14,17,19-22,36,49H,2-3,15-16,18,23H2,1H3,(H,52,53)(H2,45,46,55)/t36-/m1/s1 |
PubChem CID | 10676779 |
ChEMBL | CHEMBL308813 |
IUPHAR | N/A |
BindingDB | 50369225, 50290072 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.37 nM | PMID8648612 | BindingDB |
Ki | 1.4 nM | , Bioorg. Med. Chem. Lett., (1997) 7:17:2271 | BindingDB,ChEMBL |
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