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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 | CHEMBL108731 |
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Molecular formula | C37H38N4O6 |
IUPAC name | (2S)-2-[[(2S)-2-[[2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid |
Molecular weight | 634.733 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 5 |
XlogP | 2.0 |
Synonyms | 2-(1-{2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1,2,3,4-tetrahydro-3-isoquinolinylmethylamino}-2-phenylethylcarboxamido)-3-phenylpropanoic acid BDBM50041958 2-[1-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-1,2,3,4-tetrahydro-3-isoquinolinylcarboxamido}-2-phenyl-(1S)-ethylcarboxamido]-3-phenyl-(2S)-propanoic acid |
Inchi Key | JYOUATXRHWNDDW-KSTJSZMBSA-N |
Inchi ID | InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33?/m0/s1 |
PubChem CID | 15285532 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50041958 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 3.02 nM | PMID11961071 | BindingDB |
Ki | 5.8 nM | PMID11961071 | BindingDB |
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