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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	3-(4-Nitro-benzyloxy)-7,8,9,10-tetrahydro-benzo[c]chromen-6-one
Molecular formula	C20H17NO5
IUPAC name	3-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Molecular weight	351.358
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.1
Synonyms	BAS 00872218 DTXSID40359761 Oprea1_630398 3-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one CBMicro_033084 F0398-0486 STK805729 3-((4-NITROBENZYL)OXY)-7,8,9,10-TETRAHYDRO-6H-BENZO(C)CHROMEN-6-ONE 5-[(4-nitrophenyl)methoxy]-8-oxatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),3,5-tetraen-9-one AC1Q1XOT CHEMBL1490166 MLS000555389 3-(4-nitrobenzyl)oxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one BDBM76118 EiM07-15645 Oprea1_752618 3-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one CHEBI:115544 HMS2377J20 ZINC651387 3-((4-nitrobenzyl)oxy)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one AKOS000522648 cid_997475 MolPort-000-688-887 3-[(4-nitrobenzyl)oxy]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one BIM-0033106.P001 EU-0039228 SMR000176214 300836-64-0 AC1LKSTW MCULE-7891071021 [ Show all ]
Inchi Key	AGYDNJPPEFCTLE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H17NO5/c22-20-18-4-2-1-3-16(18)17-10-9-15(11-19(17)26-20)25-12-13-5-7-14(8-6-13)21(23)24/h5-11H,1-4,12H2
PubChem CID	997475
ChEMBL	CHEMBL1490166
IUPHAR	N/A
BindingDB	76118
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<100000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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