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	CHEMBL407073
Molecular formula	C64H80FN13O10
IUPAC name	(2S)-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2R)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[(2S)-2-[3-(4-fluorophenyl)propanoylamino]-3-(1H-indol-3-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxamide
Molecular weight	1210.42
Hydrogen bond acceptor	12
Hydrogen bond donor	12
XlogP	4.5
Synonyms	N/A
Inchi Key	BVMFWZALHZIKAK-GHGRYVAGSA-N
Inchi ID	InChI=1S/C64H80FN13O10/c1-4-68-60(85)54-16-10-28-77(54)62(87)49(15-9-27-69-64(66)67)73-57(82)50(29-37(2)3)74-59(84)52(31-40-34-70-47-13-7-5-11-45(40)47)75-58(83)51(30-39-19-24-43(79)25-20-39)76-61(86)55-33-44(80)36-78(55)63(88)53(32-41-35-71-48-14-8-6-12-46(41)48)72-56(81)26-21-38-17-22-42(65)23-18-38/h5-8,11-14,17-20,22-25,34-35,37,44,49-55,70-71,79-80H,4,9-10,15-16,21,26-33,36H2,1-3H3,(H,68,85)(H,72,81)(H,73,82)(H,74,84)(H,75,83)(H,76,86)(H4,66,67,69)/t44?,49-,50-,51-,52+,53-,54+,55-/m0/s1
PubChem CID	44375128
ChEMBL	CHEMBL407073
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	7.76247e+17 nM	PMID7510341	ChEMBL

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