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GLASS

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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.
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GPCR

Name	Neuropeptide FF receptor 2
Species	Homo sapiens (Human)
Gene	NPFFR2
Synonym	NPFF2 receptor Neuropeptide G-protein coupled receptor GPR74 G-protein coupled receptor HLWAR77 G-protein coupled receptor 74 G protein-coupled receptor 74 F8Famide receptor NPGPR [ Show all ]
Disease	N/A
Length	522
Amino acid sequence	MNSFFGTPAASWCLLESDVSSAPDKEAGRERRALSVQQRGGPAWSGSLEWSRQSAGDRRRLGLSRQTAKSSWSRSRDRTCCCRRAWWILVPAADRARRERFIMNEKWDTNSSENWHPIWNVNDTKHHLYSDINITYVNYYLHQPQVAAIFIISYFLIFFLCMMGNTVVCFIVMRNKHMHTVTNLFILNLAISDLLVGIFCMPITLLDNIIAGWPFGNTMCKISGLVQGISVAASVFTLVAIAVDRFQCVVYPFKPKLTIKTAFVIIMIIWVLAITIMSPSAVMLHVQEEKYYRVRLNSQNKTSPVYWCREDWPNQEMRKIYTTVLFANIYLAPLSLIVIMYGRIGISLFRAAVPHTGRKNQEQWHVVSRKKQKIIKMLLIVALLFILSWLPLWTLMMLSDYADLSPNELQIINIYIYPFAHWLAFGNSSVNPIIYGFFNENFRRGFQEAFQLQLCQKRAKPMEAYALKAKSHVLINTSNQLVQESTFQNPHGETLLYRKSAEKPQQELVMEELKETTNSSEI
UniProt	Q9Y5X5
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	CHEMBL5952
IUPHAR	301
DrugBank	N/A

Ligand

Name	BIBP3226
Molecular formula	C27H31N5O3
IUPAC name	(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
Molecular weight	473.577
Hydrogen bond acceptor	4
Hydrogen bond donor	5
XlogP	2.5
Synonyms	102691-EP2272841A1 BIBP 3226 DTXSID30415502 ZINC3811314 (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide 159013-54-4 MFCD00938562 (R)-2-Diphenylacetylamino-5-guanidino-pentanoic acid 4-hydroxy-benzylamide AKOS034831590 D0V2GT N2-(Diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-D-arginine amide 102691-EP2301936A1 BIBP 3226 TRIFLUOROACETATE GTPL1485 [3H]-BIBP3226 (2R)-5-(diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]-N-[(4-hydroxyphenyl)methyl]pentanamide N-[(1R)]-4-[(Aminoiminomethyl)amino-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl-?-phenylbenzeneacetamide (R)-5-(diaminomethyleneamino)-2-(2,2-diphenylacetamido)-N-(4-hydroxybenzyl)pentanamide BDBM50060728 D0Y8GV SCHEMBL650331 BIBP-3226 GTPL3474 [3H]BIBP3226 (R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hydroxybenzyl)pentanamide AC1NSJUK CHEMBL332347 N-[(1R)]-4-[(Aminoiminomethyl)amino-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl-alpha-phenylbenzeneacetamide trifluoroacetate [ Show all ]
Inchi Key	KUWBXRGRMQZCSS-HSZRJFAPSA-N
Inchi ID	InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1
PubChem CID	5311023
ChEMBL	CHEMBL332347
IUPHAR	1485
BindingDB	50060728
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	113.0 nM	PMID22708927	ChEMBL
EC50	233.0 nM	PMID22708927	BindingDB,ChEMBL
Emax	51.0 %	PMID22708927	ChEMBL
Emax	57.0 %	PMID22708927	ChEMBL
Ki	79.4328 - 1258.93 nM	PMID11024015, PMID11325787	IUPHAR
Ki	84.0 nM	PMID26466164	ChEMBL
Ki	250.0 nM	PMID26466164	ChEMBL

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