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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	RF 9
Molecular formula	C26H38N6O3
IUPAC name	N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]adamantane-1-carboxamide
Molecular weight	482.629
Hydrogen bond acceptor	4
Hydrogen bond donor	5
XlogP	1.4
Synonyms	1-Adamantanecarbonyl-RF-NH2 CHEBI:140980 N(2)-(tricyclo[3.3.1.1(3,7)]decan-1-ylcarbonyl)-L-arginyl-L-phenylalaninamide 876310-60-0 CS-7903 RF9 B7463 HY-107382 NCGC00485847-01 Adamantane-1-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butyl]-amide D08UWO SCHEMBL18041259 1-adamantanecarbonyl-Arg-Phe-NH2 BDBM50336912 MolPort-023-276-894 CHEMBL1672380 AKOS024457741 GTPL1486 ZINC43102258 [ Show all ]
Inchi Key	UMKHUSRDQFQHAK-RNJMTYCLSA-N
Inchi ID	InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21-,26?/m0/s1
PubChem CID	53320361
ChEMBL	CHEMBL1672380
IUPHAR	1486
BindingDB	50336912
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	71.0 nM	PMID22708927	BindingDB,ChEMBL
EC50	462.0 nM	PMID22708927	ChEMBL
Emax	89.0 %	PMID22708927	ChEMBL
Emax	93.0 %	PMID22708927	ChEMBL
Inhibition	60.0 %	PMID23131340	ChEMBL
Inhibition	97.0 %	PMID23131340	ChEMBL
Ki	22.0 nM	PMID23131340	BindingDB,ChEMBL
Ki	63.0957 nM	PMID16407169	IUPHAR
Ratio EC50	271.0 -	PMID22708927	ChEMBL

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