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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 | CHEMBL345208 |
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Molecular formula | C28H30N2O4S |
IUPAC name | (4aS,7R,7aR)-3-(cyclopropylmethyl)-7-[(2-isothiocyanatophenyl)methoxy]-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol |
Molecular weight | 490.618 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | BDBM50036249 4-cyclopropylmethyl-14-(2-isothiocyanatobenzyloxy)-(13R,14R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-triene-10,17-diol(o-NCS) |
Inchi Key | ASQKMNDCAVTNOQ-OWGJQLEISA-N |
Inchi ID | InChI=1S/C28H30N2O4S/c31-21-8-7-18-13-23-28(32)10-9-22(33-15-19-3-1-2-4-20(19)29-16-35)26-27(28,24(18)25(21)34-26)11-12-30(23)14-17-5-6-17/h1-4,7-8,17,22-23,26,31-32H,5-6,9-15H2/t22-,23?,26+,27?,28-/m1/s1 |
PubChem CID | 44369628 |
ChEMBL | CHEMBL345208 |
IUPHAR | N/A |
BindingDB | 50036249 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Control | 30.0 % | PMID7853350 | ChEMBL |
Control | 34.0 % | PMID7853350 | ChEMBL |
Control | 47.0 % | PMID7853350 | ChEMBL |
Control | 55.0 % | PMID7853350 | ChEMBL |
Control | 59.0 % | PMID7853350 | ChEMBL |
Control | 72.0 % | PMID7853350 | ChEMBL |
IC50 | 1.8 nM | PMID7853350 | BindingDB,ChEMBL |
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