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Target
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta
Ligand
BDBM50588337
Substrate
n/a
Meas. Tech.
ChEMBL_2186859 (CHEMBL5098941)
Ki
1030±n/a nM
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 Chem 64:17795-17812 (2021) [PubMed] 
Target
Name:
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2186852
Components:
This complex has 3 components.
Component 1
Name:
Gamma-aminobutyric acid receptor subunit alpha-4
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
Type:
Enzyme Catalytic Domain
Mol. Mass.:
61648.70
Organism:
Homo sapiens (Human)
Description:
GABA A Alpha4Beta2Gamma2 0 HUMAN::P48169
Residue:
554
Sequence:
MVSAKKVPAIALSAGVSFALLRFLCLAVCLNESPGQNQKEEKLCTENFTRILDSLLDGYDNRLRPGFGGPVTEVKTDIYVTSFGPVSDVEMEYTMDVFFRQTWIDKRLKYDGPIEILRLNNMMVTKVWTPDTFFRNGKKSVSHNMTAPNKLFRIMRNGTILYTMRLTISAECPMRLVDFPMDGHACPLKFGSYAYPKSEMIYTWTKGPEKSVEVPKESSSLVQYDLIGQTVSSETIKSITGEYIVMTVYFHLRRKMGYFMIQTYIPCIMTVILSQVSFWINKESVPARTVFGITTVLTMTTLSISARHSLPKVSYATAMDWFIAVCFAFVFSALIEFAAVNYFTNIQMEKAKRKTSKPPQEVPAAPVQREKHPEAPLQNTNANLNMRKRTNALVHSESDVGNRTEVGNHSSKSSTVVQESSKGTPRSYLASSPNPFSRANAAETISAARALPSASPTSIRTGYMPRKASVGSASTRHVFGSRLQRIKTTVNTIGATGKLSATPPPSAPPPSGSGTSKIDKYARILFPVTFGAFNMVYWVVYLSKDTMEKSESLM
  
Component 2
Name:
Gamma-aminobutyric acid receptor subunit delta
Synonyms:
GABA(A) receptor subunit delta | GABRD | GBRD_HUMAN | Gamma-aminobutyric acid receptor subunit delta
Type:
PROTEIN
Mol. Mass.:
50716.35
Organism:
Homo sapiens
Description:
ChEMBL_109656
Residue:
452
Sequence:
MDAPARLLAPLLLLCAQQLRGTRAMNDIGDYVGSNLEISWLPNLDGLIAGYARNFRPGIGGPPVNVALALEVASIDHISEANMEYTMTVFLHQSWRDSRLSYNHTNETLGLDSRFVDKLWLPDTFIVNAKSAWFHDVTVENKLIRLQPDGVILYSIRITSTVACDMDLAKYPMDEQECMLDLESYGYSSEDIVYYWSESQEHIHGLDKLQLAQFTITSYRFTTELMNFKSAGQFPRLSLHFHLRRNRGVYIIQSYMPSVLLVAMSWVSFWISQAAVPARVSLGITTVLTMTTLMVSARSSLPRASAIKALDVYFWICYVFVFAALVEYAFAHFNADYRKKQKAKVKVSRPRAEMDVRNAIVLFSLSAAGVTQELAISRRQRRVPGNLMGSYRSVGVETGETKKEGAARSGGQGGIRARLRPIDADTIDIYARAVFPAAFAAVNVIYWAAYAM
  
Component 3
Name:
Gamma-aminobutyric acid receptor subunit beta-1
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
Type:
PROTEIN
Mol. Mass.:
54244.51
Organism:
Homo sapiens (Human)
Description:
EBI_11217
Residue:
474
Sequence:
MWTVQNRESLGLLSFPVMITMVCCAHSTNEPSNMSYVKETVDRLLKGYDIRLRPDFGGPPVDVGMRIDVASIDMVSEVNMDYTLTMYFQQSWKDKRLSYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWNGGEGAVTGVNKIELPQFSIVDYKMVSKKVEFTTGAYPRLSLSFRLKRNIGYFILQTYMPSTLITILSWVSFWINYDASAARVALGITTVLTMTTISTHLRETLPKIPYVKAIDIYLMGCFVFVFLALLEYAFVNYIFFGKGPQKKGASKQDQSANEKNKLEMNKVQVDAHGNILLSTLEIRNETSGSEVLTSVSDPKATMYSYDSASIQYRKPLSSREAYGRALDRHGVPSKGRIRRRASQLKVKIPDLTDVNSIDKWSRMFFPITFSLFNVVYWLYYVH
  
Inhibitor
Name:
BDBM50588337
Synonyms:
CHEMBL5177970
Type:
Small organic molecule
Emp. Form.:
C18H25N3O2
Mol. Mass.:
315.41
SMILES:
CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Structure:
Search PDB for entries with ligand similarity: