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GLASS

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GPCR

Name	Gamma-aminobutyric acid type B receptor subunit 1
Species	Homo sapiens (Human)
Gene	GABBR1
Synonym	GPRC3A 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 [ Show all ]
Disease	N/A
Length	961
Amino acid sequence	MLLLLLLAPLFLRPPGAGGAQTPNATSEGCQIIHPPWEGGIRYRGLTRDQVKAINFLPVDYEIEYVCRGEREVVGPKVRKCLANGSWTDMDTPSRCVRICSKSYLTLENGKVFLTGGDLPALDGARVDFRCDPDFHLVGSSRSICSQGQWSTPKPHCQVNRTPHSERRAVYIGALFPMSGGWPGGQACQPAVEMALEDVNSRRDILPDYELKLIHHDSKCDPGQATKYLYELLYNDPIKIILMPGCSSVSTLVAEAARMWNLIVLSYGSSSPALSNRQRFPTFFRTHPSATLHNPTRVKLFEKWGWKKIATIQQTTEVFTSTLDDLEERVKEAGIEITFRQSFFSDPAVPVKNLKRQDARIIVGLFYETEARKVFCEVYKERLFGKKYVWFLIGWYADNWFKIYDPSINCTVDEMTEAVEGHITTEIVMLNPANTRSISNMTSQEFVEKLTKRLKRHPEETGGFQEAPLAYDAIWALALALNKTSGGGGRSGVRLEDFNYNNQTITDQIYRAMNSSSFEGVSGHVVFDASGSRMAWTLIEQLQGGSYKKIGYYDSTKDDLSWSKTDKWIGGSPPADQTLVIKTFRFLSQKLFISVSVLSSLGIVLAVVCLSFNIYNSHVRYIQNSQPNLNNLTAVGCSLALAAVFPLGLDGYHIGRNQFPFVCQARLWLLGLGFSLGYGSMFTKIWWVHTVFTKKEEKKEWRKTLEPWKLYATVGLLVGMDVLTLAIWQIVDPLHRTIETFAKEEPKEDIDVSILPQLEHCSSRKMNTWLGIFYGYKGLLLLLGIFLAYETKSVSTEKINDHRAVGMAIYNVAVLCLITAPVTMILSSQQDAAFAFASLAIVFSSYITLVVLFVPKMRRLITRGEWQSEAQDTMKTGSSTNNNEEEKSRLLEKENRELEKIIAEKEERVSELRHQLQSRQQLRSRRHPPTPPEPSGGLPRGPPEPPDRLSCDGSRVHLLYK
UniProt	Q9UBS5
Protein Data Bank	4mqe, 4mqf, 4mr9, 4mrm, 4ms1, 4ms3, 4ms4
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4mqe.
BioLiP	BL0264367, BL0264359, BL0264358, BL0264357, BL0264356, BL0264366, BL0264368, BL0264369, BL0264370, BL0264371, BL0264365
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2064
IUPHAR	240
DrugBank	BE0000217

Ligand

Name	baclofen
Molecular formula	C10H12ClNO2
IUPAC name	4-amino-3-(4-chlorophenyl)butanoic acid
Molecular weight	213.661
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	-1.0
Synonyms	AC1L1DC6 BSPBio_001880 Apo-Baclofen CCRIS 3722 B 5399 Ciba-Geigy Brand of Baclofen Baclofen (JP17/USP/INN) D01AJY Baclofen Ciba-Geigy Brand ( inverted exclamation markA)-BACLOFEN Baclofen solution, 500 mug/mL (90:10 MeOH:DMSO), certified reference material, ampule of 1 mL (+/-)-Baclofen, >=98% (TLC), solid Baclofene (RS)-4-Amino-3-(4-chlorophenyl)butanoic acid Baclofenum [INN-Latin] .gamma.-Amino-.beta.-(p-chlorophenyl)butyric acid BDBM24182 4-Amino-3-(4-chlorophenyl)butyric acid BG0101 SPECTRUM1500135 KBio2_003034 SR-01000000107-4 KS-00000VAF UPCMLD-DP142 LP00163 MolPort-002-051-370 NCGC00015156-13 DSSTox_GSID_22641 NINDS_000001 FT-0622547 Nu-Baclo Genpharm PMS Baclofen HMS500A03 SAM002564194 IPX056 BPBio1_000750 Alphapharm Brand of Baclofen C-11285 Ashbourne Brand of Baclofen CHEMBL701 Ba-34647 CPD000058294 Baclofen Alphapharm Brand Baclofen Medtronic Brand (±)-Baclofen Baclofen [USAN:USP:INN:BAN:JAN] (.+/-.)-Baclofen Baclofene-Irex (y)-Baclofen Baclospas Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-(9CI) 62594-36-9 J-002965 Spectrum4_000245 KBioGR_000650 ST075584 Lioresal MB00475 NCGC00015156-06 NCGC00024579-03 EINECS 214-486-9 NSC-755906 Gablofen NuBaclo HMS1920E21 Prestwick0_000085 Hydrocinnamic acid, .beta.-(aminomethyl)-p-chloro- SCHEMBL19333 BRN 2104494 API0001581 CC-17750 Atrofen Ciba Geigy Brand of Baclofen CX1358 Baclofen Athena Brand baclofen o (+/-)- beta-(Aminoethyl)-4- chlorobenzenepropanoic acid Baclofen, Pharmaceutical Secondary Standard; Certified Reference Material (A+/-)-Baclofen Baclofeno [INN-Spanish] .beta.-(Aminomethyl)-p-chlorohydrocinnamic acid BC208286 4-Amino-3-(4-chlorophenyl)butanoic acid # beta-(Aminomethyl)-p-chlorohydrocinnamic acid AB0012560 KBio1_000001 SR-01000000107 Kemstro (TN) Tox21_110090_1 Lioresal, Liofen MFCD00055143 NCGC00015156-11 DL-Baclofen NCGC00024579-06 EX-A1378 Nu Baclo Gen-Baclofen Pharmakon1600-01500135 HMS3260B07 Prestwick3_000085 IDI1_000001 SPBio_000044 AKOS005174692 Butanoic acid, 4-amino-3-(4-chlorophenyl)- ApoBaclofen CHEBI:2972 Ba 34647 CIBA34,647BA Baclofen (R,S) Baclofen Irex Brand ( inverted exclamation markA)-\|A-(Aminomethyl)-4-chlorobenzenepropanoic acid Baclofen solution, 500 mug/mL in methanol, ampule of 1 mL, certified reference material (+/-)-beta-(Aminoethyl)-4-chlorobenzenepropanoic acid Baclofene Irex (RS)-Amino-3-(4-chlorophenyl)butyric acid Baclon 1134-47-0 Benzenepropanoic acid, .beta.-(aminomethyl)-4-chloro- 4-Amino-3-(4-chlorophenyl)butyricAcid,Baclofen Biomol-NT_000251 Spectrum2_000092 KBio2_005602 SR-01000000107-6 L000002 UPCMLD-DP142:001 LS-77134 NCGC00015156-04 NCGC00015156-15 DSSTox_RID_76670 Novartis Brand of Baclofen GABA, Chlorophenyl Nu-Baclofen GTPL1084 Pms-Baclofen HS-1001 SBI-0050151.P004 Irex Brand of Baclofen BRD-A84174873-001-05-2 AN-11875 C10H12ClNO2 ASTA Medica Brand of Baclofen Chlorophenyl GABA Ba34,647 CS-2990 Baclofen Apotex Brand Baclofen Novartis Brand (+-)-Baclofen Baclofen, British Pharmacopoeia (BP) Reference Standard (.+/-.)-Baklofen BaclofeneIrex .beta.-(4-Chlorophenyl)gaba BBL010735 4-AMINO-3(4-CHLOROPHENYL)BUTYRIC ACID beta-(4-Chlorophenyl)gaba AB00051921 J10366 Spectrum5_000852 KBioSS_000466 STK535284 Lioresal (TN) MCULE-2275748923 NCGC00015156-07 DivK1c_000001 NCGC00024579-04 EN300-118715 NSC329137 gamma-Amino-beta-(p-chlorophenyl)butyric acid Oprea1_440627 HMS2091M03 Prestwick1_000085 HYDROCINNAMIC ACID, beta-(AMINOMETHYL)-p-CHLORO- SMP1_000036 AC-4530 BSPBio_000010 Apo Baclofen CCG-38910 AWD, Baclofen CIBA-34,647-BA Baclofen (JP15/USP/INN) D00241 Baclofen AWD Baclofen Pharmascience Brand (+/-)-BACLOFEN Baclofen, United States Pharmacopeia (USP) Reference Standard (inverted question mark)-Baclofen Baclofenum .beta.-(p-Chlorophenyl)-.gamma.-aminobutyric acid BCP11844 4-Amino-3-(4-chlorophenyl)butyri beta-(p-Chlorophenyl)-gamma-aminobutyric acid SPBio_001949 KBio2_000466 SR-01000000107-2 KPYSYYIEGFHWSV-UHFFFAOYSA-N Tox21_500163 Lopac0_000163 MLS000028480 NCGC00015156-12 DSSTox_CID_2641 NCGC00260848-01 F2173-1127 Nu Pharm Brand of Baclofen GenBaclofen Pharmascience Brand of Baclofen HMS3712A12 Prestwick_85 IPX 056 ALBB-014712 C 34647Ba Apotex Brand of Baclofen Ba-34,647 Clofen Baclofen 0.5 mg/ml in Methanol DB00181 Baclofen Isis Brand ( inverted question mark)-Baclofen Baclofen [USAN:INN:BAN:JAN] (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid Baclofene [INN-French] (RS)-BACLOFEN Baclophen 134B470 Benzenepropanoic acid, beta-(aminomethyl)-4-chloro- 4-Amino-3-(p-chlorophenyl)butyric acid BPBio1_000012 Spectrum3_000310 KBio3_001380 SR-01000000107-8 Lebic ZX-AN013424 M-2046 NCGC00015156-05 NCGC00023843-03 DTXSID5022641 NSC-329137 Gabalon Nu-Pharm Brand of Baclofen HMS1568A12 PMSBaclofen HY-B0007 SC-19053 Isis Brand of Baclofen Brivaracetam-D3 solution, 100 mug/mL in methanol, certified reference material, ampule of 1 mL AOB5950 CAS-1134-47-0 Athena Brand of Baclofen Ciba 34,647-Ba Ba34647 CTK2F7435 Baclofen Ashbourne Brand Baclofen Nu-Pharm Brand (+/- )-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid Baclofen, European Pharmacopoeia (EP) Reference Standard (?)-Baclofen Baclofeno .beta.-(Aminomethyl)-4-chlorobenzenepropanoic acid BBV-40195932 4-Amino-3-(4-chlorophenyl)butanoic acid beta-(Aminomethyl)-4-chlorobenzenepropanoic acid AB00051921_16 KB-74838 Spectrum_000066 Kemstro Tox21_110090 Lioresal Intrathecal Medtronic Brand of Baclofen NCGC00015156-08 DL-4-Amino-3-p-chlorophenylbutanoic acid NCGC00024579-05 EU-0100163 NSC755906 Gen Baclofen PCP-GABA HMS2095A12 Prestwick2_000085 I01-1934 SMR000058294 [ Show all ]
Inchi Key	KPYSYYIEGFHWSV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
PubChem CID	2284
ChEMBL	CHEMBL701
IUPHAR	N/A
BindingDB	24182
DrugBank	DB00181
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank

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