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	Neuropeptide FF receptor 1
Species	Homo sapiens (Human)
Gene	NPFFR1
Synonym	GnIH-R G protein-coupled receptor 147 OT7T022 NPFF1R1 NPFF1 receptor NPFF1 G-protein coupled receptor 147 GPR147 GnIH-R/RFRP-3 RFamide-related peptide receptor OT7T022 [ Show all ]
Disease	N/A
Length	430
Amino acid sequence	MEGEPSQPPNSSWPLSQNGTNTEATPATNLTFSSYYQHTSPVAAMFIVAYALIFLLCMVGNTLVCFIVLKNRHMHTVTNMFILNLAVSDLLVGIFCMPTTLVDNLITGWPFDNATCKMSGLVQGMSVSASVFTLVAIAVERFRCIVHPFREKLTLRKALVTIAVIWALALLIMCPSAVTLTVTREEHHFMVDARNRSYPLYSCWEAWPEKGMRRVYTTVLFSHIYLAPLALIVVMYARIARKLCQAPGPAPGGEEAADPRASRRRARVVHMLVMVALFFTLSWLPLWALLLLIDYGQLSAPQLHLVTVYAFPFAHWLAFFNSSANPIIYGYFNENFRRGFQAAFRARLCPRPSGSHKEAYSERPGGLLHRRVFVVVRPSDSGLPSESGPSSGAPRPGRLPLRNGRVAHHGLPREGPGCSHLPLTIPAWDI
UniProt	Q9GZQ6
Protein Data Bank	N/A
GPCR-HGmod model	Q9GZQ6
3D structure model	This predicted structure model is from GPCR-EXP Q9GZQ6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5951
IUPHAR	300
DrugBank	N/A

Ligand

Name	CHEMBL2208075
Molecular formula	C23H30N6O5
IUPAC name	(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[2-(3,4-dihydroxyphenyl)acetyl]amino]pentanamide
Molecular weight	470.53
Hydrogen bond acceptor	6
Hydrogen bond donor	7
XlogP	-0.1
Synonyms	N/A
Inchi Key	GIHOKQUSCVNUPC-IRXDYDNUSA-N
Inchi ID	InChI=1S/C23H30N6O5/c24-21(33)17(11-14-5-2-1-3-6-14)29-22(34)16(7-4-10-27-23(25)26)28-20(32)13-15-8-9-18(30)19(31)12-15/h1-3,5-6,8-9,12,16-17,30-31H,4,7,10-11,13H2,(H2,24,33)(H,28,32)(H,29,34)(H4,25,26,27)/t16-,17-/m0/s1
PubChem CID	71456077
ChEMBL	CHEMBL2208075
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	0.0 %	PMID23131340	ChEMBL
Inhibition	61.0 %	PMID23131340	ChEMBL

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