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GLASS

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GPCR

Name	Gamma-aminobutyric acid type B receptor subunit 1
Species	Homo sapiens (Human)
Gene	GABBR1
Synonym	GPRC3A Gb1 gamma-aminobutyric acid (GABA) B receptor 1 gamma-aminobutyric acid (GABA) B receptor GABABR1 GABAB1 GABA-BR1 GABA-B-R1 GABA-B receptor 1 [ Show all ]
Disease	N/A
Length	961
Amino acid sequence	MLLLLLLAPLFLRPPGAGGAQTPNATSEGCQIIHPPWEGGIRYRGLTRDQVKAINFLPVDYEIEYVCRGEREVVGPKVRKCLANGSWTDMDTPSRCVRICSKSYLTLENGKVFLTGGDLPALDGARVDFRCDPDFHLVGSSRSICSQGQWSTPKPHCQVNRTPHSERRAVYIGALFPMSGGWPGGQACQPAVEMALEDVNSRRDILPDYELKLIHHDSKCDPGQATKYLYELLYNDPIKIILMPGCSSVSTLVAEAARMWNLIVLSYGSSSPALSNRQRFPTFFRTHPSATLHNPTRVKLFEKWGWKKIATIQQTTEVFTSTLDDLEERVKEAGIEITFRQSFFSDPAVPVKNLKRQDARIIVGLFYETEARKVFCEVYKERLFGKKYVWFLIGWYADNWFKIYDPSINCTVDEMTEAVEGHITTEIVMLNPANTRSISNMTSQEFVEKLTKRLKRHPEETGGFQEAPLAYDAIWALALALNKTSGGGGRSGVRLEDFNYNNQTITDQIYRAMNSSSFEGVSGHVVFDASGSRMAWTLIEQLQGGSYKKIGYYDSTKDDLSWSKTDKWIGGSPPADQTLVIKTFRFLSQKLFISVSVLSSLGIVLAVVCLSFNIYNSHVRYIQNSQPNLNNLTAVGCSLALAAVFPLGLDGYHIGRNQFPFVCQARLWLLGLGFSLGYGSMFTKIWWVHTVFTKKEEKKEWRKTLEPWKLYATVGLLVGMDVLTLAIWQIVDPLHRTIETFAKEEPKEDIDVSILPQLEHCSSRKMNTWLGIFYGYKGLLLLLGIFLAYETKSVSTEKINDHRAVGMAIYNVAVLCLITAPVTMILSSQQDAAFAFASLAIVFSSYITLVVLFVPKMRRLITRGEWQSEAQDTMKTGSSTNNNEEEKSRLLEKENRELEKIIAEKEERVSELRHQLQSRQQLRSRRHPPTPPEPSGGLPRGPPEPPDRLSCDGSRVHLLYK
UniProt	Q9UBS5
Protein Data Bank	4mqe, 4mqf, 4mr9, 4mrm, 4ms1, 4ms3, 4ms4
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4mqe.
BioLiP	BL0264367, BL0264359, BL0264358, BL0264357, BL0264356, BL0264366, BL0264368, BL0264369, BL0264370, BL0264371, BL0264365
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2064
IUPHAR	240
DrugBank	BE0000217

Ligand

Name	Abt-418
Molecular formula	C9H14N2O
IUPAC name	3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole
Molecular weight	166.224
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.2
Synonyms	D09ADT NCGC00165725-01 (S)-3-Methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole 3-Methyl-5-((S)-1-methyl-pyrrolidin-2-yl)-isoxazole AC1L3OPH Isoxazole, 3-methyl-5-((2S)-1-methyl-2-pyrrolidinyl)- UNII-B9I6MZL7BW component ILLGYRJAYAAAEW-QMMMGPOBSA-N 3-Methyl-5-(1methyl-2(S)-pyrrolidinyl)isoxazole C9H14N2O KB-74388 (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidinium Abt 418 DTXSID10163711 NCGC00165725-02 (S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole 3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole AKOS006273438 Isoxazole, 3-methyl-5-(1-methyl-2-pyrrolidinyl)-, (S)- ZINC3786099 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole CHEMBL274525 LS-173303 (s)-3-methyl-5-(1-methyl-2-pyrrolidinyl) isoxazole ILLGYRJAYAAAEW-QMMMGPOBSA-N SCHEMBL194161 147402-53-7 3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole BDBM50035398 Isoxazole, 3-methyl-5-[(2S)-1-methyl-2-pyrrolidinyl]- [ Show all ]
Inchi Key	ILLGYRJAYAAAEW-QMMMGPOBSA-N
Inchi ID	InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
PubChem CID	119380
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50035398
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID7518514	BindingDB

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