| Reaction Details |
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 | Report a problem with these data |
| Target | Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta |
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| Ligand | BDBM50588339 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2186852 (CHEMBL5098934) |
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| Ki | 195±n/a nM |
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| Citation |  Bavo, F; de-Jong, H; Petersen, J; Falk-Petersen, CB; Löffler, R; Sparrow, E; Rostrup, F; Eliasen, JN; Wilhelmsen, KS; Barslund, K; Bundgaard, C; Nielsen, B; Kristiansen, U; Wellendorph, P; Bogdanov, Y; Frølund, B Structure-Activity Studies of 3,9-Diazaspiro[5.5]undecane-Based ?-Aminobutyric Acid Type A Receptor Antagonists with Immunomodulatory Effect. J Med Chem64:17795-17812 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta |
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| Name: | Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta |
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| Synonyms: | n/a |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 2186852 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Gamma-aminobutyric acid receptor subunit alpha-4 |
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| Synonyms: | GABA A Alpha4Beta2Gamma2 | GABA A Alpha4Beta3Gamma2 | GABA A Alpha4Gamma2 | GABA A receptor alpha-4/beta-3/gamma-2 | GABA receptor alpha-4 subunit | GABA(A) receptor subunit alpha-4 | GABRA4 | GBRA4_HUMAN | Gamma-aminobutyric acid receptor subunit alpha-4 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 61648.70 |
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| Organism: | Homo sapiens (Human) |
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| Description: | GABA A Alpha4Beta2Gamma2 0 HUMAN::P48169 |
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| Residue: | 554 |
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| Sequence: | MVSAKKVPAIALSAGVSFALLRFLCLAVCLNESPGQNQKEEKLCTENFTRILDSLLDGYD
NRLRPGFGGPVTEVKTDIYVTSFGPVSDVEMEYTMDVFFRQTWIDKRLKYDGPIEILRLN
NMMVTKVWTPDTFFRNGKKSVSHNMTAPNKLFRIMRNGTILYTMRLTISAECPMRLVDFP
MDGHACPLKFGSYAYPKSEMIYTWTKGPEKSVEVPKESSSLVQYDLIGQTVSSETIKSIT
GEYIVMTVYFHLRRKMGYFMIQTYIPCIMTVILSQVSFWINKESVPARTVFGITTVLTMT
TLSISARHSLPKVSYATAMDWFIAVCFAFVFSALIEFAAVNYFTNIQMEKAKRKTSKPPQ
EVPAAPVQREKHPEAPLQNTNANLNMRKRTNALVHSESDVGNRTEVGNHSSKSSTVVQES
SKGTPRSYLASSPNPFSRANAAETISAARALPSASPTSIRTGYMPRKASVGSASTRHVFG
SRLQRIKTTVNTIGATGKLSATPPPSAPPPSGSGTSKIDKYARILFPVTFGAFNMVYWVV
YLSKDTMEKSESLM
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| Component 2 |
| Name: | Gamma-aminobutyric acid receptor subunit delta |
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| Synonyms: | GABA(A) receptor subunit delta | GABRD | GBRD_HUMAN | Gamma-aminobutyric acid receptor subunit delta |
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| Type: | PROTEIN |
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| Mol. Mass.: | 50716.35 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_109656 |
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| Residue: | 452 |
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| Sequence: | MDAPARLLAPLLLLCAQQLRGTRAMNDIGDYVGSNLEISWLPNLDGLIAGYARNFRPGIG
GPPVNVALALEVASIDHISEANMEYTMTVFLHQSWRDSRLSYNHTNETLGLDSRFVDKLW
LPDTFIVNAKSAWFHDVTVENKLIRLQPDGVILYSIRITSTVACDMDLAKYPMDEQECML
DLESYGYSSEDIVYYWSESQEHIHGLDKLQLAQFTITSYRFTTELMNFKSAGQFPRLSLH
FHLRRNRGVYIIQSYMPSVLLVAMSWVSFWISQAAVPARVSLGITTVLTMTTLMVSARSS
LPRASAIKALDVYFWICYVFVFAALVEYAFAHFNADYRKKQKAKVKVSRPRAEMDVRNAI
VLFSLSAAGVTQELAISRRQRRVPGNLMGSYRSVGVETGETKKEGAARSGGQGGIRARLR
PIDADTIDIYARAVFPAAFAAVNVIYWAAYAM
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| Component 3 |
| Name: | Gamma-aminobutyric acid receptor subunit beta-1 |
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| Synonyms: | GABA A receptor alpha-1/beta-1/gamma-2 | GABA(A) receptor subunit beta-1 | GABRB1 | GBRB1_HUMAN | Gamma-aminobutyric acid receptor subunit beta-1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 54244.51 |
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| Organism: | Homo sapiens (Human) |
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| Description: | EBI_11217 |
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| Residue: | 474 |
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| Sequence: | MWTVQNRESLGLLSFPVMITMVCCAHSTNEPSNMSYVKETVDRLLKGYDIRLRPDFGGPP
VDVGMRIDVASIDMVSEVNMDYTLTMYFQQSWKDKRLSYSGIPLNLTLDNRVADQLWVPD
TYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIE
SYGYTTDDIEFYWNGGEGAVTGVNKIELPQFSIVDYKMVSKKVEFTTGAYPRLSLSFRLK
RNIGYFILQTYMPSTLITILSWVSFWINYDASAARVALGITTVLTMTTISTHLRETLPKI
PYVKAIDIYLMGCFVFVFLALLEYAFVNYIFFGKGPQKKGASKQDQSANEKNKLEMNKVQ
VDAHGNILLSTLEIRNETSGSEVLTSVSDPKATMYSYDSASIQYRKPLSSREAYGRALDR
HGVPSKGRIRRRASQLKVKIPDLTDVNSIDKWSRMFFPITFSLFNVVYWLYYVH
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| BDBM50588339 |
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| n/a |
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| Name | BDBM50588339 |
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| Synonyms: | CHEMBL5187612 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H24N2O |
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| Mol. Mass. | 272.3853 |
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| SMILES | Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1 |
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| Structure | 
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