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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	Allopregnanolone
Molecular formula	C21H34O2
IUPAC name	1-[(3R,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular weight	318.501
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.9
Synonyms	(3alpha,5alpha)-3-hydroxypregnan-20-one) Lopac0_001004 SCHEMBL12029043 1-((3R,5S,10S,14S)-3-Hydroxy-10-methyl-13-(S)-methyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone NCGC00094298-02 SR-01000076090-5 3alpha-hydroxy-5alpha-pregnane-20-one HMS3263I09 NCGC00261689-01 1-((3R,5S)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone BDBM50055912 LP01004 SR-01000076090 1-((3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone CHEMBL38856 NCGC00094298-03 Tox21_501004 5alpha-Pregnan-3alpha-ol-20-one LMST02030130 P 8887 1-((3R,5S,10S,13S,17S)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone CCG-205084 NCGC00094298-01 SR-01000076090-1 1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone EU-0101004 NCGC00094298-04 US8575375, 10 [ Show all ]
Inchi Key	AURFZBICLPNKBZ-LOPWJTSLSA-N
Inchi ID	InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17+,18?,19?,20-,21+/m0/s1
PubChem CID	9883500
ChEMBL	CHEMBL38856
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	12.6 nM	None	ChEMBL

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