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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	4'-Chlorodiazepam
Molecular formula	C16H12Cl2N2O
IUPAC name	7-chloro-5-(4-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
Molecular weight	319.185
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.8
Synonyms	7-Chloro-1,3-dihydro-1-methyl-5-(p-chlorophenyl)-2H-1,4-benzodiazepin-2-one AE-641/30111005 DTXSID3041116 MLS000069627 Oprea1_280237 Ro 5-4864 ZINC347533 4 ?Chlorodiazepam 7-Chloro-5-(4-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one # BRN 0685202 HMS3371O04 NB-3040 PDSP1_001759 Ro-5-4864 4' Cl-diazepam 4-Chlorodiazepam 7-chloro-5-(4-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one D0B1PE LS-34142 NCGC00018222-03 PDSP2_001742 SMR000058205 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(p-chlorophenyl)-1,3-dihydro-1-methyl- 7-Chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one AKOS005066448 FT-0734424 MLS001074199 PDSP1_000583 Ro-05-4864 (Z)-7-chloro-5-(4-chlorophenyl)-1-methyl-1H-benzo[e][1,4]diazepin-2(3H)-one 4 -chlorodiazepam 7-chloro-5-(4-chlorophenyl)-1-methyl-1H-benzo[e][1,4]diazepin-2(3H)-one C-48907 HSDB 6958 NCGC00018222-01 PDSP2_000580 RO5-4864 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl- 5-24-04-00337 (Beilstein Handbook Reference) AC1L1C0I D0EX7B MCULE-5708714981 Opera_ID_1710 PUMYFTJOWAJIKF-UHFFFAOYSA-N UNII-2QW0IK1742 2QW0IK1742 7-Chloro-5-(4-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one BDBM22040 HMS2230H04 MolPort-002-801-377 PDSP1_000636 Ro-4864 14439-61-3 4 inverted exclamation marka-Chlorodiazepam 4'-Chlorodiazepam, >=98% (TLC) 7-chloro-5-(4-chlorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one CHEMBL286346 KS-0000002X NCGC00018222-02 PDSP2_000631 SCHEMBL60200 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl- (9CI) [ Show all ]
Inchi Key	PUMYFTJOWAJIKF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
PubChem CID	1688
ChEMBL	N/A
IUPHAR	N/A
BindingDB	22040
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	1000.0 nM	PMID1848629	BindingDB

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