| Reaction Details |
|---|
 | Report a problem with these data |
| Target | GABA-A receptor; alpha-5/beta-3/gamma-2 |
|---|
| Ligand | BDBM50162213 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_303660 (CHEMBL830421) |
|---|
| Ki | 2.1±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
|
|
|
|---|
| BDBM50162213 |
|---|
| n/a |
|---|
| Name | BDBM50162213 |
|---|
| Synonyms: | 1-methyl-1H-1,2,4-triazol-3-yl[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yloxy]methane | 9-[(1-methyl-1H-1,2,4-triazol-3-yl)methoxy]-6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.0^{2,10}.0^{3,7}]pentadeca-2(10),3,5,8-tetraene | CHEMBL366468 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C21H21N7O |
|---|
| Mol. Mass. | 387.4377 |
|---|
| SMILES | Cn1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(-1.26,-7.81,;-.35,-6.57,;1.19,-6.57,;1.66,-5.05,;.42,-4.21,;.42,-2.67,;-.91,-1.9,;-.91,-.36,;.42,.39,;.42,1.95,;1.59,3,;.93,4.38,;-.58,4.24,;-.91,2.72,;-2.24,1.93,;-3.6,2.63,;-4.9,1.93,;-4.9,.39,;-3.57,-.37,;-4.51,1.18,;-2.94,1.18,;-2.24,.39,;3.08,2.7,;3.57,1.25,;5.09,.95,;6.09,2.12,;5.6,3.56,;4.09,3.87,;-.83,-5.1,)| |
|---|
| Structure | 
|
|---|
Search and Browse
