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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	66548-69-4
Molecular formula	C13H9F3N4
IUPAC name	3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
Molecular weight	278.238
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.7
Synonyms	DB-054936 KB-271972 PDSP1_001766 Tocris-1709 3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,2-b)pyridazine 3-Methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo-(4,3-b)pyridazine AKOS024456755 CI-218872 CL-218,872 GUOQUXNJZHGPQF-UHFFFAOYSA-N MLS000860066 RP29785 ZINC2568376 3-Methyl-6-(3-[trifluoromethyl]phenyl)-1,2,4-triazolo-(4,3-B)pyridazine BDBM50026756 CTK2F3997 HMS3369C09 NCGC00025269-02 SR-01000597518 1,2,4-Triazolo(4,3-b)pyridazine, 3-methyl-6-(3-(trifluoromethyl)phenyl)- 3-Methyl-6-[-3-(trifluoromethyl)phenyl]-1,2,4-triazolo[4,3-b]pyridazine AC1L331Q CHEBI:92018 CL 218,872 DTXSID80216728 LS-186729 PDSP2_000629 v3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine 3-Methyl-6-(3-(trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine 3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine AN-25623 CL-218872 HMS2235F15 MolPort-003-958-694 SCHEMBL1320758 3-methyl-6-(alpha, alpha,alpha -trifluoro-m-tolyl)-1,2,4-triazolo[4,3-b]pyridazine BRD-K00662280-001-01-1 D01IHM J-520102 PDSP1_000634 SR-01000597518-1 1,2,4-Triazolo[4,3-b]pyridazine, 3-methyl-6-[3-(trifluoromethyl)phenyl]- 3-Methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo-(4,3-b) pyridazine AC1Q4K4I CHEMBL13662 CL 218872 FT-0641074 LS-187420 PDSP2_001749 Z2026966425 3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine 3-methyl-6-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazine B6840 CL218,872 HMS3268A16 NCGC00025269-01 SMR000326924 3-methyl-6-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,2,4-triazolo[4,3-b]pyridazine A835489 BRD-K00662280-001-04-5 [ Show all ]
Inchi Key	GUOQUXNJZHGPQF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
PubChem CID	107950
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50026756
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	12.0 nM	PMID1848629	BindingDB
Ki	15.0 nM	PMID1848629	BindingDB
Ki	100.0 nM	PMID1848629	BindingDB

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