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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 | 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 |
---|---|---|---|
EC50 | 0.11 nM | PMID12825957, PMID12672258 | BindingDB |
IC50 | 0.32 nM | PMID1335078 | BindingDB |
IC50 | 0.39 nM | PMID19282177 | BindingDB |
Ki | 0.02 nM | PMID8114680 | BindingDB |
Ki | 0.03 nM | PMID1333013 | BindingDB |
Ki | 0.03 nM | PMID7853332, PMID2160538 | BindingDB |
Ki | 0.031 nM | PMID1648136 | BindingDB |
Ki | 0.04 nM | PMID12565965 | BindingDB |
Ki | 0.062 nM | PMID14998329, PMID12431065, PMID10229636 | BindingDB |
Ki | 0.07 nM | PMID14711299 | BindingDB |
Ki | 0.14 nM | PMID19282177 | BindingDB |
Ki | 0.15 nM | PMID11294396 | BindingDB |
Ki | 0.16 nM | PMID12930147 | BindingDB |
Ki | 0.2 nM | PMID15588100, PMID12672258, PMID15456250, PMID11784158, PMID12825957 | BindingDB |
Ki | 0.2 nM | PMID9686407 | BindingDB |
Ki | 0.22 nM | PMID11597422 | BindingDB |
Ki | 0.24 nM | PMID12930147 | BindingDB |
Ki | 0.46 nM | PMID21621410 | BindingDB |
Ki | 0.5 nM | PMID21621410 | BindingDB |
Ki | 1.04 nM | PMID7932177 | BindingDB |
Ki | 2.0 nM | PMID19595591 | BindingDB |
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