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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	Type-1 angiotensin II receptor
Species	Oryctolagus cuniculus (Rabbit)
Gene	AGTR1
Synonym	Angiotensin II type-1 receptor AT1
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE
UniProt	P34976
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	CHEMBL3948
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	FIMASARTAN
Molecular formula	C27H31N7OS
IUPAC name	2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-N,N-dimethylethanethioamide
Molecular weight	501.653
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.5
Synonyms	2-(1-((2'-(2H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N,N-dimethylethanethioamide AK120789 BR-A657 KB-220035 SCHEMBL2229436 2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-N,N-dimethylethanethioamide AX8246205 MolPort-027-836-696 5-Pyrimidineethanethioamide, 2-butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)- BR-A-657-K CTK8H8115 HY-B0780 PubChem24450 2-(1-((2-(2H-Tetrazol-5-yl)-[1,1-biphenyl]-4-yl)methyl)-2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N,N-dimethylethanethioamide AKOS016011331 C27H31N7OS DB09279 KS-00001F8R UNII-P58222188P 247257-48-3 BCP11616 CHEMBL1951143 Fimasartan (INN) NCGC00390600-01 1904AB BR-A-657.K D10556 Kanarb SCHEMBL20126833 2-n-butyl-5-dimethylaminothiocarbonylmethyl-6-methyl-3-[[2'-(1H-tetrazol-5-yl) biphenyl-4-yl]methyl]-pyrimidine-4(3H)-one AS-35179 CHEBI:136044 DTXSID80179460 L019170 ZINC3842872 257F483 BDBM50364573 CS-3509 Fimasartan [INN] P58222188P [ Show all ]
Inchi Key	AMEROGPZOLAFBN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)
PubChem CID	9870652
ChEMBL	CHEMBL1951143
IUPHAR	N/A
BindingDB	50364573
DrugBank	DB09279
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.42 nM	PMID22264484	BindingDB,ChEMBL
Ratio IC50	145.0 -	PMID22264484	ChEMBL

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