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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-1A angiotensin II receptor
Species	Rattus norvegicus (Rat)
Gene	Agtr1
Synonym	Angiotensin II type-1A receptor AT1A
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MALNSSAEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVCAFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSSAKKPASCFEVE
UniProt	P25095
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	CHEMBL329
IUPHAR	34
DrugBank	N/A

Ligand

Name	141872-46-0
Molecular formula	C23H23N7O2
IUPAC name	4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid
Molecular weight	429.484
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.8
Synonyms	4-[butyl([2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5-pyrimidinecarboxylic acid A 81282 BDBM50003155 FT-0643333 4-{Butyl-[2''''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-pyrimidine-5-carboxylic acid Abbott-81282 MolPort-039-032-861 4-(butyl{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}amino)pyrimidine-5-carboxylic acid 5-Pyrimidinecarboxylicacid, 4-[butyl[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]- ACMC-20cd64 CTK8G9360 ZINC1533713 4-[Butyl([2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5pyrimidinecarboxylic acid A-81282 C-35576 KB-188739 4-{Butyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-pyrimidine-5-carboxylic acid;5Hydro chloride AC1L4U4U CHEMBL333534 Oprea1_016094 4-(N-n-Butyl-N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)amino)pyrimidine-5-carboxylic acid AKOS027380884 DTXSID70161839 4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid Abbott 81282 CC-17571 L006791 4-(((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)(butyl)amino)pyrimidine-5-carboxylic acid 5-Pyrimidinecarboxylic acid, 4-(butyl((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)amino)- AC1Q5UC5 CTK0I0417 SCHEMBL7939345 [ Show all ]
Inchi Key	AHZXSVWCNDLJER-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
PubChem CID	192314
ChEMBL	CHEMBL333534
IUPHAR	N/A
BindingDB	50003155
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	1.8 nM	PMID8410980	BindingDB

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