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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.
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GPCR

Name	Neuropeptide Y receptor type 1
Species	Rattus norvegicus (Rat)
Gene	Npy1r
Synonym	FC5 neuropeptide Y receptor type 1 NPY-Y1 receptor NPY1-R Y1 receptor Y1-R [ Show all ]
Disease	N/A for non-human GPCRs
Length	382
Amino acid sequence	MNSTLFSRVENYSVHYNVSENSPFLAFENDDCHLPLAVIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAVMCLPFTFVYTLMDHWVFGETMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYIGITVIWVLAVASSLPFVIYQILTDEPFQNVSLAAFKDKYVCFDKFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKIRDSKYRSSETKRINVMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKISMNDNEKI
UniProt	P21555
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	CHEMBL2587
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	(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 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 [ 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
Ki	3.16228 - 12.5893 nM	PMID9145427, PMID8886416, PMID7562541	IUPHAR

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