| Reaction Details |
|---|
 | Report a problem with these data |
| Target | GABA-A receptor; alpha-5/beta-3/gamma-2 |
|---|
| Ligand | BDBM50162223 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_303660 (CHEMBL830421) |
|---|
| Ki | 0.54±n/a nM |
|---|
| Citation |  Russell, MG; Carling, RW; Atack, JR; Bromidge, FA; Cook, SM; Hunt, P; Isted, C; Lucas, M; McKernan, RM; Mitchinson, A; Moore, KW; Narquizian, R; Macaulay, AJ; Thomas, D; Thompson, SA; Wafford, KA; Castro, JL Discovery of functionally selective 7,8,9,10-tetrahydro-7,10-ethano-1,2,4-triazolo[3,4-a]phthalazines as GABA A receptor agonists at the alpha3 subunit. J Med Chem48:1367-83 (2005) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| GABA-A receptor; alpha-5/beta-3/gamma-2 |
|---|
| Name: | GABA-A receptor; alpha-5/beta-3/gamma-2 |
|---|
| Synonyms: | GABA receptor alpha-5/beta-3/gamma-2 subunit | Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 |
|---|
| Type: | n/a |
|---|
| Mol. Mass.: | n/a |
|---|
| Description: | ASSAY_ID of ChEMBL is 2148177 |
|---|
| Components: | This complex has 3 components. |
|---|
| Component 1 |
| Name: | Gamma-aminobutyric acid receptor subunit gamma-2 |
|---|
| Synonyms: | GABA(A) receptor subunit gamma-2 | GABRG2 | GBRG2_HUMAN |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 54172.74 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | EBI_217 |
|---|
| Residue: | 467 |
|---|
| Sequence: | MSSPNIWSTGSSVYSTPVFSQKMTVWILLLLSLYPGFTSQKSDDDYEDYASNKTWVLTPK
VPEGDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTIDIFFAQT
WYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWITTPNRMLRIWNDGRVLY
TLRLTIDAECQLQLHNFPMDEHSCPLEFSSYGYPREEIVYQWKRSSVEVGDTRSWRLYQF
SFVGLRNTTEVVKTTSGDYVVMSVYFDLSRRMGYFTIQTYIPCTLIVVLSWVSFWINKDA
VPARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFSALVEYGTLHYFV
SNRKPSKDKDKKKKNPAPTIDIRPRSATIQMNNATHLQERDEEYGYECLDGKDCASFFCC
FEDCRTGAWRHGRIHIRIAKMDSYARIFFPTAFCLFNLVYWVSYLYL
|
|
|
|---|
| Component 2 |
| Name: | Gamma-aminobutyric acid receptor subunit beta-3 |
|---|
| Synonyms: | GABA A receptor alpha-4/beta-3/gamma-2 | GABA receptor beta-3 subunit | GABA-A receptor | GABRB3 | GBRB3_HUMAN | agonist GABA site |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 54130.51 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | ChEMBL_448071 |
|---|
| Residue: | 473 |
|---|
| Sequence: | MWGLAGGRLFGIFSAPVLVAVVCCAQSVNDPGNMSFVKETVDKLLKGYDIRLRPDFGGPP
VCVGMNIDIASIDMVSEVNMDYTLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPD
TYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIE
SYGYTTDDIEFYWRGGDKAVTGVERIELPQFSIVEHRLVSRNVVFATGAYPRLSLSFRLK
RNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITTVLTMTTINTHLRETLPKI
PYVKAIDMYLMGCFVFVFLALLEYAFVNYIFFGRGPQRQKKLAEKTAKAKNDRSKSESNR
VDAHGNILLTSLEVHNEMNEVSGGIGDTRNSAISFDNSGIQYRKQSMPREGHGRFLGDRS
LPHKKTHLRRRSSQLKIKIPDLTDVNAIDRWSRIVFPFTFSLFNLVYWLYYVN
|
|
|
|---|
| Component 3 |
| Name: | Gamma-aminobutyric acid receptor subunit alpha-5 |
|---|
| Synonyms: | GABA receptor alpha-5 subunit | GABA(A) receptor subunit alpha-5 (GABAAa5) | GABRA5 | GBRA5_HUMAN | Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A)) | Gamma-aminobutyric acid receptor subunit alpha-5 (GABAA) |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 52160.59 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P31644 |
|---|
| Residue: | 462 |
|---|
| Sequence: | MDNGMFSGFIMIKNLLLFCISMNLSSHFGFSQMPTSSVKDETNDNITIFTRILDGLLDGY
DNRLRPGLGERITQVRTDIYVTSFGPVSDTEMEYTIDVFFRQSWKDERLRFKGPMQRLPL
NNLLASKIWTPDTFFHNGKKSIAHNMTTPNKLLRLEDDGTLLYTMRLTISAECPMQLEDF
PMDAHACPLKFGSYAYPNSEVVYVWTNGSTKSVVVAEDGSRLNQYHLMGQTVGTENISTS
TGEYTIMTAHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTTVLTM
TTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTKRGWAWDGKKALEAA
KIKKKREVILNKSTNAFTTGKMSHPPNIPKEQTPAGTSNTTSVSVKPSEEKTSESKKTYN
SISKIDKMSRIVFPVLFGTFNLVYWATYLNREPVIKGAASPK
|
|
|
|---|
| BDBM50162223 |
|---|
| n/a |
|---|
| Name | BDBM50162223 |
|---|
| Synonyms: | 2-[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yloxy]-3-pyridyl cyanide | CHEMBL179475 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H20N6O |
|---|
| Mol. Mass. | 408.4552 |
|---|
| SMILES | N#Cc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.45,-3.2,;-2.12,-3.97,;-.79,-4.74,;-.79,-6.28,;.54,-7.06,;1.87,-6.28,;1.87,-4.74,;.54,-3.99,;.54,-2.46,;-.79,-1.68,;-.79,-.15,;.54,.61,;.54,2.17,;1.7,3.22,;1.07,4.59,;-.46,4.43,;-.79,2.93,;-2.12,2.15,;-3.45,2.84,;-2.82,1.39,;-4.39,1.39,;-3.45,-.15,;-4.78,.61,;-4.78,2.15,;-2.12,.61,;3.22,2.92,;3.71,1.46,;5.21,1.16,;6.23,2.33,;5.73,3.78,;4.21,4.08,)| |
|---|
| Structure | 
|
|---|
Search and Browse
