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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Gamma-aminobutyric acid type B receptor subunit 1
Species	Rattus norvegicus (Rat)
Gene	Gabbr1
Synonym	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 GPRC3A [ Show all ]
Disease	N/A for non-human GPCRs
Length	991
Amino acid sequence	MLLLLLVPLFLRPLGAGGAQTPNATSEGCQIIHPPWEGGIRYRGLTRDQVKAINFLPVDYEIEYVCRGEREVVGPKVRKCLANGSWTDMDTPSRCVRICSKSYLTLENGKVFLTGGDLPALDGARVEFRCDPDFHLVGSSRSVCSQGQWSTPKPHCQVNRTPHSERRAVYIGALFPMSGGWPGGQACQPAVEMALEDVNSRRDILPDYELKLIHHDSKCDPGQATKYLYELLYNDPIKIILMPGCSSVSTLVAEAARMWNLIVLSYGSSSPALSNRQRFPTFFRTHPSATLHNPTRVKLFEKWGWKKIATIQQTTEVFTSTLDDLEERVKEAGIEITFRQSFFSDPAVPVKNLKRQDARIIVGLFYETEARKVFCEVYKERLFGKKYVWFLIGWYADNWFKTYDPSINCTVEEMTEAVEGHITTEIVMLNPANTRSISNMTSQEFVEKLTKRLKRHPEETGGFQEAPLAYDAIWALALALNKTSGGGGRSGVRLEDFNYNNQTITDQIYRAMNSSSFEGVSGHVVFDASGSRMAWTLIEQLQGGSYKKIGYYDSTKDDLSWSKTDKWIGGSPPADQTLVIKTFRFLSQKLFISVSVLSSLGIVLAVVCLSFNIYNSHVRYIQNSQPNLNNLTAVGCSLALAAVFPLGLDGYHIGRSQFPFVCQARLWLLGLGFSLGYGSMFTKIWWVHTVFTKKEEKKEWRKTLEPWKLYATVGLLVGMDVLTLAIWQIVDPLHRTIETFAKEEPKEDIDVSILPQLEHCSSKKMNTWLGELWSFAVSSDVQRRATVGGDSPICVWPAPESIFYGYKGLLLLLGIFLAYETKSVSTEKINDHRAVGMAIYNVAVLCLITAPVTMILSSQQDAAFAFASLAIVFSSYITLVVLFVPKMRRLITRGEWQSETQDTMKTGSSTNNNEEEKSRLLEKENRELEKIIAEKEERVSELRHQLQSRQQLRSRRHPPTPPDPSGGLPRGPSEPPDRLSCDGSRVHLLYK
UniProt	Q9Z0U4
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2753
IUPHAR	240
DrugBank	N/A

Ligand

Name	39069-52-8
Molecular formula	C15H23N5O2S
IUPAC name	4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine
Molecular weight	337.442
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.2
Synonyms	BRD-K75478907-001-01-5 GS 97833 N,N'-Dicyclopentyl-2-(methylthio)-5- nitro-4,6-pyrimidinediamine PDSP2_000399 AKOS024456904 CHEBI:93326 GS39783, >=98% (HPLC) N4,N6-Dicyclopentyl-2-(methylthio)-5-nitro-4,6-pyrimidinediamine SR-01000597525 4-N,6-N-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine BDBM86283 DTXSID30424992 KB-272640 NCGC00025340-02 ZINC3996034 ABP001025 CAS_345-78-8 GS-39783 N,N'-Dicyclopentyl-2-(methylthio)-5-nitro-4,6-pyrimidinediamine Pseudoephedrine,(+) API0009839 CHEMBL392394 GTPL5446 N4,N6-dicyclopentyl-2-(methylthio)-5-nitropyrimidine-4,6-diamine SR-01000597525-1 4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine BN0242 GS 39783 MolPort-003-983-582 PDSP1_000401 AC1O7H2C CAS_39069-52-8 GS39783 N,N'-Dicyclopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine SCHEMBL3578392 4,6-Pyrimidinediamine, N,N'-dicyclopentyl-2-(methylthio)-5-nitro- B6918 CTK1B4378 HMS3268D17 NCGC00025340-01 Tocris-2001 [ Show all ]
Inchi Key	GSGVDKOCBKBMGG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
PubChem CID	6604928
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86283
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2.75 nM	PMID12954816	BindingDB
Ki	32.36 nM	PMID12954816	BindingDB

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