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Name | Delta-type opioid receptor |
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Species | Homo sapiens (Human) |
Gene | OPRD1 |
Synonym | D-OR-1 DOR opioid receptor OP1 DOP [ Show all ] |
Disease | Cough Overactive bladder disorder Bladder disease Moderate-to-severe pain Diarrhea-predominant IBS [ Show all ] |
Length | 372 |
Amino acid sequence | MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA |
UniProt | P41143 |
Protein Data Bank | 4rwd, 4rwa, 4n6h |
GPCR-HGmod model | P41143 |
3D structure model | This structure is from PDB ID 4rwd. |
BioLiP | BL0303696,BL0303697, BL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700 |
Therapeutic Target Database | T58992 |
ChEMBL | CHEMBL236 |
IUPHAR | 317 |
DrugBank | BE0000420 |
Name | CHEMBL1256748 |
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Molecular formula | C22H32N2O2 |
IUPAC name | N-methyl-2-phenyl-N-[(5S,7S,8S)-8-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-7-yl]acetamide |
Molecular weight | 356.51 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 3.0 |
Synonyms | BDBM50381677 |
Inchi Key | PGJPPWQHDNODBR-JAXLGGSGSA-N |
Inchi ID | InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1 |
PubChem CID | 52947240 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50381677 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <10000.0 nM | PMID12672258 | BindingDB |
IC50 | 4970.0 nM | PMID7853350 | BindingDB |
IC50 | 5000.0 nM | PMID8071934 | BindingDB |
Ki | <1000.0 nM | PMID12930147 | BindingDB |
Ki | <10000.0 nM | PMID23134120, PMID12672258, PMID21866885, PMID12930147 | BindingDB |
Ki | <12000.0 nM | PMID25599950 | BindingDB |
Ki | 1358.0 nM | PMID16777416 | BindingDB |
Ki | 12540.0 nM | PMID22341895 | BindingDB |
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