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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.
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GPCR

Name	Neuropeptide Y receptor type 1
Species	Homo sapiens (Human)
Gene	NPY1R
Synonym	neuropeptide Y receptor type 1 NPY-Y1 receptor NPY1-R FC5 Y1 receptor Y1-R [ Show all ]
Disease	Hypertension; Obesity; Heart disease Obesity Eating disorders reduction in food intake obesity anxiety Eating disorders reduction in food intake Eating disorder Cardiovascular disorder Hypertension [ Show all ]
Length	384
Amino acid sequence	MNSTLFSQVENHSVHSNFSEKNAQLLAFENDDCHLPLAMIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTLMDHWVFGEAMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYVGIAVIWVLAVASSLPFLIYQVMTDEPFQNVTLDAYKDKYVCFDQFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKMRDNKYRSSETKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKINNNDDNEKI
UniProt	P25929
Protein Data Bank	5zbh
GPCR-HGmod model	P25929
3D structure model	This structure is from PDB ID 5zbh.
BioLiP	BL0411971
Therapeutic Target Database	T89213
ChEMBL	CHEMBL4777
IUPHAR	305
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	GTPL1485 [3H]-BIBP3226 102691-EP2301936A1 BIBP 3226 TRIFLUOROACETATE N-[(1R)]-4-[(Aminoiminomethyl)amino-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl-?-phenylbenzeneacetamide (2R)-5-(diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]-N-[(4-hydroxyphenyl)methyl]pentanamide SCHEMBL650331 (R)-5-(diaminomethyleneamino)-2-(2,2-diphenylacetamido)-N-(4-hydroxybenzyl)pentanamide BDBM50060728 D0Y8GV GTPL3474 [3H]BIBP3226 BIBP-3226 N-[(1R)]-4-[(Aminoiminomethyl)amino-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl-alpha-phenylbenzeneacetamide trifluoroacetate (R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hydroxybenzyl)pentanamide AC1NSJUK CHEMBL332347 DTXSID30415502 ZINC3811314 102691-EP2272841A1 BIBP 3226 MFCD00938562 (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide 159013-54-4 N2-(Diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-D-arginine amide (R)-2-Diphenylacetylamino-5-guanidino-pentanoic acid 4-hydroxy-benzylamide AKOS034831590 D0V2GT [ 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
IC50	3.631 nM	PMID19053784	ChEMBL
IC50	3.981 nM	PMID26466164	ChEMBL
IC50	8.8 nM	PMID19916528	BindingDB,ChEMBL
IC50	10.23 nM	PMID26466164	ChEMBL
IC50	11.75 nM	PMID26466164	ChEMBL
IC50	16.22 nM	PMID26466164	ChEMBL
Kb	1.5 nM	PMID20688523, PMID21493077, PMID24074877, PMID18851917	ChEMBL
Kd	2.1 nM	PMID26466164	ChEMBL
Ki	0.47 - 7.6 nM	PMID7562541, PMID7562543	IUPHAR
Ki	1.0 nM	PMID26466164	ChEMBL
Ki	1.3 nM	PMID20688523, PMID21493077, PMID24074877, PMID18851917	BindingDB,ChEMBL
Ki	1.5 nM	PMID19053784, PMID26466164	BindingDB,ChEMBL
Ki	2.0 nM	PMID19053784	BindingDB,ChEMBL
Ki	5.1 nM	PMID21493077	BindingDB,ChEMBL
Ki	14.9 nM	PMID11814801	ChEMBL
Ki	15.0 nM	PMID11814801	BindingDB
Ki	2315.0 nM	PMID9371234	BindingDB,ChEMBL

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