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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 | CHEMBL282424 |
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Molecular formula | C18H19FN4 |
IUPAC name | 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine |
Molecular weight | 310.376 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 2.8 |
Synonyms | 3-[4-(2-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine BDBM50099887 OOKNJSVAHXTYKL-UHFFFAOYSA-N 3-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-1H-pyrrolo[2,3-b]pyridine SCHEMBL5196558 |
Inchi Key | OOKNJSVAHXTYKL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21) |
PubChem CID | 22065997 |
ChEMBL | CHEMBL282424 |
IUPHAR | N/A |
BindingDB | 50099887 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | <10000.0 nM | PMID11378358 | BindingDB,ChEMBL |
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