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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	flunitrazepam
Molecular formula	C16H12FN3O3
IUPAC name	5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
Molecular weight	313.288
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.1
Synonyms	Rufinol (TN) ct-Arzneimittel Brand of Flunitrazepam Vulbegal (TN) DTXSID7023065 Flunitrazepam solution, drug standard, 1.0 mg/mL in methanol Flunitrazepamum GTPL4360 1,3-Dihydro-5-(o-fluorophenyl)-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one Insom (TN) 5-(2-Fluorophenyl)-1-methyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one Nilium (TN) 5-24-04-00350 (Beilstein Handbook Reference) RO-5-4200 BDBM25878 CCRIS 5287 Silece (TN) D0W2NM [3H]flunitrazepam Flunibeta Flunitrazepam 0.1 mg/ml in Methanol Flunitrazepam, European Pharmacopoeia (EP) Reference Standard flunizep von ct HMS503E03 1A Brand of Flunitrazepam Merck dura Brand ofFlunitrazepam 5-(2-Fluorophenyl)-1-methyl-7-nitro-1H-benzo[e][1,4]diazepin-2(3H)-one NSC708829 A810363 Roche Brand of Flunitrazepam Rohypnol (TN) CHEMBL13280 Teva Brand of Flunitrazepam DEA No. 2763 flunipam Flunitrazepam ratiopharm Flunitrazepam-ratiopharm FT-0603567 (E)-5-(2-fluorophenyl)-1-methyl-7-nitro-1H-benzo[e][1,4]diazepin-2(3H)-one IDI1_000981 2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-1-methyl-7-nitro- Narcozep\|\|\|Rohypnol 5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one ratiopharm Brand of Flunitrazepam AN-49559 betapharm Brand of Flunitrazepam SCHEMBL44169 CTK6I1441 W-107962 EINECS 216-597-8 Flunitrazepam (JP15/USAN/INN) Flunitrazepam Teva Flunitrazepamum [INN-Latin] Hexal Brand of Flunitrazepam 1-Methyl-7-nitro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2(1H)-one KBio1_000981 5-(2-Fluorophenyl)-1-methyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one # NINDS_000981 620X0222FQ Ro-54200 CHEBI:31622 SMR000058981 Darkene (TN) [3H]Rohypnol Flunimerck Flunitrazepam 1.0 mg/ml in Methanol Flunitrazepam-13C6, 100 mug/mL in methanol, certified reference material fluni\|A HSDB 6960 MLS003899224 5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H-1,4-benzodiazepin-2-one PPTYJKAXVCCBDU-UHFFFAOYSA-N AC1L1FSZ Rohipnol Roipnol ct Arzneimittel Brand of Flunitrazepam UNII-620X0222FQ DivK1c_000981 Flunipam (TN) Flunitrazepam solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material Flunitrazepam-Teva GTPL4193 1,3-dihydro-5-(2-fluorophenyl)-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one Ilman(TN) 5-(2-fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-2h-1,4-benzodiazepin-2-one neuraxpharm Brand of Flunitrazepam 5-(o-Fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one Ro 5-4200 ANW-71935 BRN 0702691 Silece D01230 ZINC3812994 Fluni 1A Pharma Flunitrazepam (JP17/USAN/INN) Flunitrazepam [USAN:INN:BAN:JAN] Flunitrazepan Hipnosedon (TN) 1622-62-4 LS-34296 5-(2-Fluorophenyl)-1-methyl-7-nitro-1,3-dihydrobenzo[e][1,4]diazepin-2-one NSC-708829 622F624 RO54200 Rohypnol TC-160680 DB01544 Fluninoc Flunitrazepam neuraxpharm Flunitrazepam-neuraxpharm Fluridrazepam Hypnodorm (TN) 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-5-(2-FLUOROPHENYL)-1-METHYL-7-NITRO- Narcozep 5-(2-Fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2(1H)-one Primun AKOS005066009 [ Show all ]
Inchi Key	PPTYJKAXVCCBDU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
PubChem CID	3380
ChEMBL	CHEMBL13280
IUPHAR	N/A
BindingDB	25878
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	5.0 nM	PMID1848629	BindingDB
Ki	6.1 nM	PMID1848629	BindingDB
Ki	7.5 nM	PMID1848629	BindingDB
Ki	8.8 nM	PMID1848629	BindingDB
Ki	10.0 nM	PMID1848629	BindingDB

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