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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL1716544
Molecular formula	C21H20FN3O3
IUPAC name	4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoic acid
Molecular weight	381.407
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.4
Synonyms	AC1M2P0F MLS000394040 STL488711 3-({[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}(methyl)carbamoyl)propanoic acid HMS2556N08 AKOS024300985 MolPort-004-275-090 Z57008904 4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoic acid MCULE-9254122400 882216-84-4 BDBM50187506 SMR000241575 HMS1771H14 ZINC2657840 4-[{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}(methyl)amino]-4-oxobutanoic acid [ Show all ]
Inchi Key	BBMMUTCDVDPEJZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20FN3O3/c1-24(19(26)11-12-20(27)28)13-16-14-25(18-5-3-2-4-6-18)23-21(16)15-7-9-17(22)10-8-15/h2-10,14H,11-13H2,1H3,(H,27,28)
PubChem CID	2121575
ChEMBL	CHEMBL1716544
IUPHAR	N/A
BindingDB	50187506
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	2570.0 nM	PMID27480029	BindingDB
IC50	2570.4 nM	PMID27480029	ChEMBL

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