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Name | Mu-type opioid receptor |
---|---|
Species | Cavia porcellus (Guinea pig) |
Gene | OPRM1 |
Synonym | M-OR-1 MOR-1 |
Disease | N/A for non-human GPCRs |
Length | 98 |
Amino acid sequence | YTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKTVNVCNWI |
UniProt | P97266 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4354 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL279968 |
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Molecular formula | C19H25NO2 |
IUPAC name | (1S,13R)-10-(cyclopropylmethyl)-1-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one |
Molecular weight | 299.414 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | (6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one (ethylketocyclazocine) ETHYLKETOCYCLAZOCINE BDBM50000091 (6S,11R)-3-Cyclopropylmethyl-9-hydroxy-6,11-dimethyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one [ Show all ] |
Inchi Key | SEJUQQOPVAUETF-BKBNBNODSA-N |
Inchi ID | InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1 |
PubChem CID | 44273397 |
ChEMBL | CHEMBL279968 |
IUPHAR | N/A |
BindingDB | 50000091 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Dose ratio | 3.1 - | PMID1310115 | ChEMBL |
Ki | 0.4 nM | PMID9686407 | BindingDB |
Ki | 0.73 nM | PMID12593663 | ChEMBL |
Ki | 0.78 nM | PMID12749896, PMID12593663, PMID11591513, PMID11266156, PMID10633042, PMID14695830 | BindingDB,ChEMBL |
Ki | 0.78 nM | PMID12593663, PMID11591513, PMID11266156, PMID10633042, PMID12749896 | BindingDB |
Ki | 1.7 nM | PMID2832603 | BindingDB,ChEMBL |
Ki | 320.0 nM | PMID12593663 | ChEMBL |
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