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Name | Mu-type opioid receptor |
---|---|
Species | Bos taurus (Bovine) |
Gene | OPRM1 |
Synonym | M-OR-1 MOR-1 |
Disease | N/A for non-human GPCRs |
Length | 401 |
Amino acid sequence | MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP |
UniProt | P79350 |
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 | CHEMBL3041 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL288178 |
---|---|
Molecular formula | C23H25ClN2O4 |
IUPAC name | N-[(4aS,7aR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-chloroprop-2-enamide |
Molecular weight | 428.913 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.3 |
Synonyms | 1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-2-chloroacrylamide BDBM50287334 |
Inchi Key | MVSBLZZXOLNTIU-NGCYQRTHSA-N |
Inchi ID | InChI=1S/C23H25ClN2O4/c1-12(24)21(29)25-23-7-6-16(28)20-22(23)8-9-26(11-13-2-3-13)17(23)10-14-4-5-15(27)19(30-20)18(14)22/h4-5,13,17,20,27H,1-3,6-11H2,(H,25,29)/t17?,20-,22?,23+/m0/s1 |
PubChem CID | 44286875 |
ChEMBL | CHEMBL288178 |
IUPHAR | N/A |
BindingDB | 50287334 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 23.5 nM | Bioorg. Med. Chem. Lett., (1996) 6:13:1563 | ChEMBL |
IC50 | 24.0 nM | N/A | BindingDB |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417