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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 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	UNII-QKC82E736Q
Molecular formula	C29H35N7O3
IUPAC name	(2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
Molecular weight	529.645
Hydrogen bond acceptor	4
Hydrogen bond donor	6
XlogP	1.4
Synonyms	BIBO-3304 free base QKC82E736Q CHEMBL1774204 (R)-N-alpha-(2,2-Diphenylacetyl)-N-(4-ureidomethylbenzyl)argininamide BDBM50343731 BIBO 3304 TRIFLUOROACETATE GTPL1528 191868-13-0 BIBO3304 RT-011503 (2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide AC1NSJUH CTK8E9767 ZINC3952359 (r)-N-[[4-(aminocarbonylaminomethyl)-phenyl]methyl]-n2-(diphen ylacetyl)-argininamide Benzeneacetamide, N-((1R)-1-((((4-(((aminocarbonyl)amino)methyl)phenyl)methyl)amino)carbonyl)-4-((aminoiminomethyl)amino)butyl)-alpha-phenyl- BIBO-3304 KB-271535 191868-14-1 SCHEMBL6899864 (2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]pentanamide AKOS024457083 Benzeneacetamide, N-(1-((((4-(((aminocarbonyl)amino)methyl)phenyl)methyl)amino)carbonyl)-4-((aminoiminomethyl)amino)butyl)-alpha-phenyl-, (R)- D0U5TK [ Show all ]
Inchi Key	TVMJSGGZULFVCZ-XMMPIXPASA-N
Inchi ID	InChI=1S/C29H35N7O3/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39)/t24-/m1/s1
PubChem CID	5311022
ChEMBL	CHEMBL1774204
IUPHAR	1528
BindingDB	50343731
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.38 nM	PMID9806339	IUPHAR
Kb	0.7 nM	PMID21493077, PMID24074877	ChEMBL
Ki	0.25 nM	PMID21493077	BindingDB,ChEMBL

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