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	Gonadotropin-releasing hormone receptor
Species	Rattus norvegicus (Rat)
Gene	Gnrhr
Synonym	luteinizing hormone-releasing hormone (LHRH) receptor luliberin receptor LHRHR LHRH receptor GNRHR1 GnRHR GnRH1 receptor GnRH-R GnRH receptor GnRH I receptor Type I GnRHR [ Show all ]
Disease	N/A for non-human GPCRs
Length	327
Amino acid sequence	MANNASLEQDQNHCSAINNSIPLTQGKLPTLTLSGKIRVTVTFFLFLLSTAFNASFLVKLQRWTQKRKKGKKLSRMKVLLKHLTLANLLETLIVMPLDGMWNITVQWYAGEFLCKVLSYLKLFSMYAPAFMMVVISLDRSLAVTQPLAVQSKSKLERSMTSLAWILSIVFAGPQLYIFRMIYLADGSGPAVFSQCVTHCSFPQWWHEAFYNFFTFSCLFIIPLLIMLICNAKIIFALTRVLHQDPRKLQLNQSKNNIPRARLRTLKMTVAFGTSFVICWTPYYVLGIWYWFDPEMLNRVSEPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProt	P30969
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	CHEMBL3066
IUPHAR	256
DrugBank	N/A

Ligand

Name	CHEMBL150228
Molecular formula	C28H32N2O3
IUPAC name	4-[4-[2-[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]ethylamino]butyl]phenol
Molecular weight	444.575
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	5.8
Synonyms	4-(4-{2-[2-(3,5-Dimethoxy-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenol BDBM50097008 4-[4-[2-[2-(3,5-Dimethoxyphenyl)-1H-indole-3-yl]ethylamino]butyl]phenol
Inchi Key	AFNNWBJCAKKHEC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H32N2O3/c1-32-23-17-21(18-24(19-23)33-2)28-26(25-8-3-4-9-27(25)30-28)14-16-29-15-6-5-7-20-10-12-22(31)13-11-20/h3-4,8-13,17-19,29-31H,5-7,14-16H2,1-2H3
PubChem CID	44365281
ChEMBL	CHEMBL150228
IUPHAR	N/A
BindingDB	50097008
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
IC50	700.0 nM	PMID11229759	BindingDB,ChEMBL

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