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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 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	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	(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 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 [ 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
FC	12.0 -	PMID22708927	ChEMBL
FC	30.0 -	PMID22708927	ChEMBL
FC	671.0 -	PMID22708927	ChEMBL
Kd	20.89 nM	PMID22708927	BindingDB,ChEMBL
Ki	12.0 nM	PMID26466164	ChEMBL
Ki	15.8489 - 100.0 nM	PMID11024015, PMID12242085, PMID12421602	IUPHAR
Ki	18.0 nM	PMID26466164	ChEMBL

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