Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Gamma-aminobutyric acid type B receptor subunit 2
Species	Homo sapiens (Human)
Gene	GABBR2
Synonym	HG20 GPRC3B GPR51 Gb2 gamma-aminobutyric acid (GABA) B receptor, 2 gamma-aminobutyric acid (GABA) B receptor 2 gamma-aminobutyric acid (GABA) B receptor GABABR2 GABAB2 GABA-BR2 GABA-B-R2 GABA-B R2 receptor G-protein coupled receptor 51 G protein-coupled receptor 51 GABA-B receptor 2 [ Show all ]
Disease	Pain Drug abuse Fragile X syndrome Nicotine dependence Partial seizures Depression Cancer Schizophrenia Absence seizures Anxiety disorder [ Show all ]
Length	941
Amino acid sequence	MASPRSSGQPGPPPPPPPPPARLLLLLLLPLLLPLAPGAWGWARGAPRPPPSSPPLSIMGLMPLTKEVAKGSIGRGVLPAVELAIEQIRNESLLRPYFLDLRLYDTECDNAKGLKAFYDAIKYGPNHLMVFGGVCPSVTSIIAESLQGWNLVQLSFAATTPVLADKKKYPYFFRTVPSDNAVNPAILKLLKHYQWKRVGTLTQDVQRFSEVRNDLTGVLYGEDIEISDTESFSNDPCTSVKKLKGNDVRIILGQFDQNMAAKVFCCAYEENMYGSKYQWIIPGWYEPSWWEQVHTEANSSRCLRKNLLAAMEGYIGVDFEPLSSKQIKTISGKTPQQYEREYNNKRSGVGPSKFHGYAYDGIWVIAKTLQRAMETLHASSRHQRIQDFNYTDHTLGRIILNAMNETNFFGVTGQVVFRNGERMGTIKFTQFQDSREVKVGEYNAVADTLEIINDTIRFQGSEPPKDKTIILEQLRKISLPLYSILSALTILGMIMASAFLFFNIKNRNQKLIKMSSPYMNNLIILGGMLSYASIFLFGLDGSFVSEKTFETLCTVRTWILTVGYTTAFGAMFAKTWRVHAIFKNVKMKKKIIKDQKLLVIVGGMLLIDLCILICWQAVDPLRRTVEKYSMEPDPAGRDISIRPLLEHCENTHMTIWLGIVYAYKGLLMLFGCFLAWETRNVSIPALNDSKYIGMSVYNVGIMCIIGAAVSFLTRDQPNVQFCIVALVIIFCSTITLCLVFVPKLITLRTNPDAATQNRRFQFTQNQKKEDSKTSTSVTSVNQASTSRLEGLQSENHRLRMKITELDKDLEEVTMQLQDTPEKTTYIKQNHYQELNDILNLGNFTESTDGGKAILKNHLDQNPQLQWNTTEPSRTCKDPIEDINSPEHIQRRLSLQLPILHHAYLPSIGGVDASCVSPCVSPTASPRHRHVPPSFRVMVSGL
UniProt	O75899
Protein Data Bank	4mr7, 4mr8
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4mr7.
BioLiP	BL0264360, BL0264364, BL0264363, BL0264362, BL0264361
Therapeutic Target Database	T42446
ChEMBL	N/A
IUPHAR	N/A
DrugBank	BE0002340

Ligand

Name	(R)-Baclofen
Molecular formula	C10H12ClNO2
IUPAC name	(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
Molecular weight	213.661
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	-1.0
Synonyms	FT-0662468 l-Baclofen PubChem18285 ST079288 (3R)-4-amino-3-(4-chlorophenyl)butanoic acid UNII-NYU6UTW25B A9172 AN-37917 BDBM50032964 CTK8C4757 D09791 HY-17354 MCULE-5448996279 R-Baclofen RS STX-209 (R)-4-Amino-3-(4-chloro-phenyl)-butyric acid [3H](R)-(-)-baclofen AC1L2C6G Arbaclofen BG0394 DB08891 KPYSYYIEGFHWSV-QMMMGPOBSA-N NYU6UTW25B SR-01000597441 Tocris-0796 (R)-4-Amino-3-(4-chlorophenyl)butanoicacid 4-Amino-3-(4-chloro-phenyl)-butyric acid AK109161 AX8047687 CS-0889 GTPL1064 LS-182284 R-(-)-Baclofen ST24035487 (betaR)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid W-5262 (\|AR)-\|A-(Aminomethyl)-4-chlorobenzenepropanoic Acid AB01566870_01 ANW-73016 Benzeneporopanoic acid, (beta-(aminomethyl)-4-chloro-, (betaR)- d-Baclofen D0W4PJ I04-1358 MolPort-002-507-841 s3072 STX209 (R)-4-amino-3-(4-chlorophenyl)butan-oic acid 2C0 AGI-006 Arbaclofen (USAN) C21605 DTXSID90219366 KS-00000LLT p-chlorophenyl GABA SR-01000597441-1 (-)-Baclofen UNII-H789N3FKE8 component KPYSYYIEGFHWSV-QMMMGPOBSA-N (R)-4-Amino-3-(4-chlorophenyl)butyric Acid 69308-37-8 AKOS015893035 B5102 CS-13178 GTPL3428 M03BX01 R-Baclofen STX 209 (R)-(-)-Baclofen ZINC61 0687AC AC-22385 API0000916 Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, (R)- D03ZYQ KB-63255 NCGC00024796-01 SCHEMBL351220 TC-161761 (R)-4-Amino-3-(4-chlorophenyl)butanoic acid 308A378 AJ-07845 Arbaclofen [USAN:INN] CHEMBL301742 [ Show all ]
Inchi Key	KPYSYYIEGFHWSV-QMMMGPOBSA-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)/t8-/m0/s1
PubChem CID	44602
ChEMBL	N/A
IUPHAR	1064
BindingDB	N/A
DrugBank	DB08891
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

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417