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	Rattus norvegicus (Rat)
Gene	Gabbr2
Synonym	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 receptor 2 GABA-B R2 receptor G-protein coupled receptor 51 G protein-coupled receptor 51 HG20 [ Show all ]
Disease	N/A for non-human GPCRs
Length	940
Amino acid sequence	MASPPSSGQPRPPPPPPPPARLLLPLLLSLLLWLAPGAWGWTRGAPRPPPSSPPLSIMGLMPLTKEVAKGSIGRGVLPAVELAIEQIRNESLLRPYFLDLRLYDTECDNAKGLKAFYDAIKYGPNHLMVFGGVCPSVTSIIAESLQGWNLVQLSFAATTPVLADKKKYPYFFRTVPSDNAVNPAILKLLKHFRWRRVGTLTQDVQRFSEVRNDLTGVLYGEDIEISDTESFSNDPCTSVKKLKGNDVRIILGQFDQNMAAKVFCCAFEESMFGSKYQWIIPGWYEPAWWEQVHVEANSSRCLRRSLLAAMEGYIGVDFEPLSSKQIKTISGKTPQQFEREYNSKRSGVGPSKFHGYAYDGIWVIAKTLQRAMETLHASSRHQRIQDFNYTDHTLGKIILNAMNETNFFGVTGQVVFRNGERMGTIKFTQFQDSREVKVGEYNAVADTLEIINDTIRFQGSEPPKDKTIILEQLRKISLPLYSILSALTILGMIMASAFLFFNIKNRNQKLIKMSSPYMNNLIILGGMLSYASIFLFGLDGSFVSEKTFETLCTVRTWILTVGYTTAFGAMFAKTWRVHAIFKNVKMKKKIIKDQKLLVIVGGMLLIDLCILICWQAVDPLRRTVERYSMEPDPAGRDISIRPLLEHCENTHMTIWLGIVYAYKGLLMLFGCFLAWETRNVSIPALNDSKYIGMSVYNVGIMCIIGAAVSFLTRDQPNVQFCIVALVIIFCSTITLCLVFVPKLITLRTNPDAATQNRRFQFTQNQKKEDSKTSTSVTSVNQASTSRLEGLQSENHRLRMKITELDKDLEEVTMQLQDTPEKTTYIKQNHYQELNDILSLGNFTESTDGGKAILKNHLDQNPQLQWNTTEPSRTCKDPIEDINSPEHIQRRLSLQLPILHHAYLPSIGGVDASCVSPCVSPTASPRHRHVPPSFRVMVSGL
UniProt	O88871
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	N/A
IUPHAR	241
DrugBank	N/A

Ligand

Name	CGP-7930
Molecular formula	C19H32O2
IUPAC name	2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
Molecular weight	292.463
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	5.7
Synonyms	EU-0100169 LP00169 NCGC00015210-05 SR-01000075738-1 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol AC1NNCN1 CGP 7930 HMS3260B19 MolPort-003-940-608 NCGC00025198-03 Tox21_500169 3-(3 inverted exclamation marka,5 inverted exclamation marka-Di-tert-butyl-4 inverted exclamation marka-hydroxy)phenyl-2,2-dimethylpropanol BDBM50108996 CGP7930 CHEMBL1256697 Lopac-C-0862 NCGC00015210-03 SMR001230789 2,2-di-methyl-3-(3,5-di-t-butyl-4-hydroxyphenyl)propanol 57717-80-3 C 0862 GTPL1079 LS-193044 NCGC00025198-01 SR-01000075738-3 28-99-9 AKOS024456641 HMS3268A09 NCGC00015210-01 NCGC00260854-01 XLWJPQQFJNGUPA-UHFFFAOYSA-N 3-(3',5'-Di-tert-butyl-4'-hydroxy)phenyl-2,2-dimethylpropanol BN0128 CHEBI:93152 DTXSID90407620 Lopac0_000169 NCGC00015210-04 SR-01000075738 2,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol ABP001026 CCG-204264 HMS2230F05 MLS002153413 NCGC00025198-02 Tocris-1513 3,5-bis(1,1-Dimethylethyl)-4-hydroxy-?,?-dimethyl-benzenepropanol API0007845 CGP-7930, >98% (HPLC), solid HMS3370F06 NCGC00015210-02 SCHEMBL2371710 ZINC2526560 3-(3,5-di-t-butyl-4-hydroxyphenyl)-2,2-dimethylpropanol BRD-K65786282-001-02-6 [ Show all ]
Inchi Key	XLWJPQQFJNGUPA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3
PubChem CID	5024764
ChEMBL	CHEMBL1256697
IUPHAR	1079
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	199.526 nM	PMID15126507, PMID11641424	IUPHAR

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