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GPCR

Name	Type-1 angiotensin II receptor
Species	Homo sapiens (Human)
Gene	AGTR1
Synonym	Type-1 angiotensin II receptor HAT1R Agtr-1a type-1A angiotensin II receptor AT1 type-1B angiotensin II receptor vascular type-1 angiotensin II receptor AT3 AT2R1A AG2S Agtr-1b Agtr1 angiotensin II receptor angiotensin II receptor, type 1 angiotensin II receptor, type 1a angiotensin II receptor, type 1b angiotensin II type-1 receptor angiotensin II type-1A receptor AT2R1 AT1BR AT1AR AT1 receptor Angtr-1b Angtr-1a angiotensin II type-1B receptor [ Show all ]
Disease	Metabolic syndrome x Myocardial infarction Hypertension Restenosis Alzheimer disease High blood pressure Heart failure Unspecified Hypotension [ Show all ]
Length	359
Amino acid sequence	MILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSTKKPAPCFEVE
UniProt	P30556
Protein Data Bank	6do1, 4zud, 4yay
GPCR-HGmod model	P30556
3D structure model	This structure is from PDB ID 6do1.
BioLiP	BL0312790, BL0326733, BL0439004,BL0439005
Therapeutic Target Database	T74456
ChEMBL	CHEMBL227
IUPHAR	34
DrugBank	BE0000062

Ligand

Name	MLS000681503
Molecular formula	C15H12N2O5
IUPAC name	[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] pyridine-4-carboxylate
Molecular weight	300.27
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.3
Synonyms	AKOS001049171 MCULE-4224769624 Z19683573 2-(4-methyl-3-nitrophenyl)-2-oxoethyl pyridine-4-carboxylate CHEMBL1466556 Oprea1_116226 [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] pyridine-4-carboxylate HMS2583H05 SR-01000439128 BDBM67251 ZINC233164 292612-45-4 cid_761850 Oprea1_705501 AC1LFXPD isonicotinic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester SR-01000439128-1 2-(4-methyl-3-nitrophenyl)-2-oxoethyl isonicotinate MolPort-001-530-761 [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate 4-pyridinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester EU-0038881 SMR000269167 [ Show all ]
Inchi Key	CLAPWGYQMWTPNJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H12N2O5/c1-10-2-3-12(8-13(10)17(20)21)14(18)9-22-15(19)11-4-6-16-7-5-11/h2-8H,9H2,1H3
PubChem CID	761850
ChEMBL	CHEMBL1466556
IUPHAR	N/A
BindingDB	67251
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	19983.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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