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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 | CHEMBL294616 |
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Molecular formula | C30H39N5O7S2 |
IUPAC name | (4S,7R,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid |
Molecular weight | 645.79 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 7 |
XlogP | -0.6 |
Synonyms | BDBM50001683 MCMMCRYPQBNCPH-DVKRWUGUSA-N 13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid |
Inchi Key | MCMMCRYPQBNCPH-DVKRWUGUSA-N |
Inchi ID | InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 |
PubChem CID | 44299404 |
ChEMBL | CHEMBL294616 |
IUPHAR | N/A |
BindingDB | 50001683 |
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 |
---|---|---|---|
EC50 | 7300.0 nM | PMID13678399, PMID8021915 | BindingDB,ChEMBL |
Emax | 51.4 - | PMID10571174 | ChEMBL |
Emax | 51.4 nM | PMID10612597 | ChEMBL |
IC50 | <1000.0 nM | PMID7853350, PMID8071934 | BindingDB,ChEMBL |
IC50 | 1760.0 nM | PMID7996538 | BindingDB,ChEMBL |
IC50 | 2720.0 nM | PMID20560643, PMID20617791 | BindingDB,ChEMBL |
IC50 | 5500.0 nM | PMID1851843 | BindingDB,ChEMBL |
IC50 | 7300.0 nM | PMID8831778, PMID7739011, PMID8289188, PMID12166947, PMID8642567, PMID8035418, PMID1648137, PMID8201592, PMID9057856 | BindingDB,ChEMBL |
IC50 | 10000.0 nM | PMID2828622 | BindingDB,ChEMBL |
IC50 | 11600.0 nM | PMID14998329 | BindingDB,ChEMBL |
Kd | 577.0 nM | PMID10571174, PMID10612597 | BindingDB,ChEMBL |
Ki | 810.0 nM | PMID1333014, PMID1315870 | BindingDB,ChEMBL |
Ratio | 1800.0 - | PMID8201592 | ChEMBL |
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