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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	MLS000679816
Molecular formula	C19H21N3O2S
IUPAC name	2,2-dimethyl-N-[[(4-phenylbenzoyl)amino]carbamothioyl]propanamide
Molecular weight	355.456
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	4.5
Synonyms	2,2-dimethyl-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]propanamide AC1M3EY4 HMS2764J05 N-{[2-(biphenyl-4-ylcarbonyl)hydrazinyl]carbonothioyl}-2,2-dimethylpropanamide 2,2-dimethyl-N-[[(4-phenylbenzoyl)amino]carbamothioyl]propanamide BB0286495 KUC105332N ZINC2884325 2,2-dimethyl-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]propanamide CHEMBL1377849 MolPort-001-593-609 AKOS000498970 KS-0000413X SMR000296652 2,2-dimethyl-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]propionamide BDBM65328 MCULE-7389736999 cid_2236648 N-{[2-(4-biphenylylcarbonyl)hydrazino]carbonothioyl}-2,2-dimethylpropanamide ARONIS009518 KSC-8-153 STL064255 [ Show all ]
Inchi Key	BQQVOJSHHJPMKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N3O2S/c1-19(2,3)17(24)20-18(25)22-21-16(23)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,21,23)(H2,20,22,24,25)
PubChem CID	2236648
ChEMBL	CHEMBL1377849
IUPHAR	N/A
BindingDB	65328
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	10762.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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