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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 | ICI 174,864 |
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Molecular formula | C38H53N5O7 |
IUPAC name | (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 691.87 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 6 |
XlogP | 2.8 |
Synonyms | MolPort-023-275-937 (2S,5S,14S)-15-allyl-5-benzyl-14-(4-hydroxybenzyl)-2-isobutyl-8,8,11,11-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12,15-pentaazaoctadec-17-en-1-oic acid Ici 174,865 N,N-Diallyl-tyr-aib-aib-phe-leu-OH AKOS024458657 [ Show all ] |
Inchi Key | XUWLAGNFLUARAN-CHQNGUEUSA-N |
Inchi ID | InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1 |
PubChem CID | 44149909 |
ChEMBL | CHEMBL47545 |
IUPHAR | N/A |
BindingDB | 50006946 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 22.0 - | PMID7515442 | ChEMBL |
Activity | 75.0 % | PMID16942033 | ChEMBL |
EC50 | 116.0 nM | PMID26048798 | BindingDB,ChEMBL |
Emax | -100.0 % | PMID26048798 | ChEMBL |
IC50 | 83.0 nM | PMID16942033 | ChEMBL |
Ke | 7.85 nM | PMID14711299 | ChEMBL |
Ke | 7.9 nM | PMID16942033 | ChEMBL |
Ki | 19.0 nM | PMID14711299 | BindingDB |
Ki | 19.1 nM | PMID14711299 | ChEMBL |
Ki | 35.0 nM | PMID2160538, PMID1333013, PMID1648136 | BindingDB,ChEMBL |
Ratio | <29.0 - | PMID1333013 | ChEMBL |
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