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GLASS

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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	L-162,313
Molecular formula	C30H38N4O4S2
IUPAC name	butyl N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight	582.778
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	7.6
Synonyms	NCGC00015596-01 SMR001230801 3-[4-(2-Ethyl-57-dimethyl-imidazo[45-b]pyridin-3-ylmethyl)-phenyl]-5-isobutyl-thiophene-2-sulfonic acid butyloxycarbonylamide(L-162313) BDBM50049189 CHEMBL288174 Lopac-L-1415 NCGC00015596-04 Tox21_500697 5,7-Dimethyl-2-ethyl-3-[[4-[2-(n-butyloxycarbonylsulfonamido)-5-isobutyl-3-thienyl]phenyl]methyl]imidazo-[4,5-b]-pyridine butyl N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate FT-0732122 MFCD00915204 NCGC00261382-01 (5,7-dimethyl-2-ethyl-3-[[4-[2(n-butyloxycarbonylsulfonamido)-5-isobutyl-3-thienyl]phenyl]methyl]imidazo[4,5,6]pyridine AC1O7G4F CCG-204782 L 1415 NCGC00015596-02 SR-01000076212 butyl (3-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)phenyl)-5-isobutylthiophen-2-yl)sulfonylcarbamate D0A4NO L-162,313, >=95%, solid Lopac0_000697 NCGC00094051-01 Z3214 5,7-Dimethyl-2-ethyl-3-[[4-[2??(n-butyloxycarbonylsulfonamido)-5-isobutyl-3-thienyl]phenyl]methyl]imidazo??[4,5-b]??pyridine butyl N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate GTPL3936 MLS002153426 SCHEMBL9132197 151488-11-8 AKOS030627241 L 162313 L-162313 NCGC00015596-03 SR-01000076212-1 5,7-Dimethyl-2-ethyl-3-[[4-[2(N-butyloxycarbonylsulfonamido)-5-isobutyl-3-thienyl]phenyl]methyl]Imidazo[4,5,6]pyridine butyl 3-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)phenyl)-5-isobutylthiophen-2-ylsulfonylcarbamate EU-0100697 LP00697 NCGC00094051-02 ZINC3918293 C30H38N4O4S2 HMS3262K15 [ Show all ]
Inchi Key	RINPELQWLUGERM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
PubChem CID	6603900
ChEMBL	CHEMBL288174
IUPHAR	3936
BindingDB	50049189
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.1 nM	PMID8576904	BindingDB,ChEMBL
IC50	11.9 - 14.2 nM	PMID7829475	IUPHAR

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