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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	losartan
Molecular formula	C22H23ClN6O
IUPAC name	[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
Molecular weight	422.917
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.3
Synonyms	API0007066 NCGC00095125-05 BRD-K76205745-001-04-1 Q-201321 D0DD0K (2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazol-5-yl)methanol DUP 89 2-Butyl-4-chloro-1-((2'-(1H-etrazol-5-yl) (1,1'-biphenyl)-4-yl)methyl)-1H-imidazole-5-methanol GP6564 2-n-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole Hyzaar 54244-EP2287166A2 KBio3_001915 54244-EP2301931A1 Losartan (INN) A803239 MFCD00865831 SPECTRUM1504268 SR-01000763170-4 [2-butyl-5-chloro-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol MolPort-003-666-553 BCPP000183 NSC_3961 C22H23ClN6O SC-47229 Cozaar (TN) (1-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methanol DSSTox_CID_3227 124750-99-8 (mono-potassium salt) Dup89 2-BUTYL-4-CHLORO-1-[[2'-(1H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-1H-IMIDAZOLE-5-METHANOL HMS1922J13 54244-EP2269989A1 JMS50MPO89 54244-EP2295406A1 KS-00000GI2 54244-EP2308562A2 Losartan [INN:BAN] AB07507 Spectrum4_001126 Tox21_111435_1 [3H]-losartan AKOS015994740 NCGC00095125-02 BIDD:GT0286 PSIFNNKUMBGKDQ-UHFFFAOYSA-N CCG-39095 D03AQG (1-((2'-(2h-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1h-imidazol-5-yl)methanol DTXSID7023227 1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-(9CI) F2173-0506 2-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1H-tetrazol-5-yl)-biphenyl-4-yl)methyl]imidazole HSDB 7043 54244-EP2277879A1 KBio2_004761 54244-EP2298779A1 Lortaan 798L264 LS-78746 SR-01000763170 [2-butyl-4-chloro-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazol-5-yl]methanol MK-954 BCP27731 NSC-758699 BSPBio_002695 RT-013597 CL23623 (2-butyl-4-chloro-1-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazol-5-yl)methanol DuP-753 2-butyl-4-chloro-1-[p-(o-1H-tetrazol-5ylphenyl)benzyl]imidazole-5-methanol GTPL3941 2-n-butyl-4-chloro-5-hydroxymethyl-1-[[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]methyl]imidazole I14-9710 54244-EP2292620A2 KBioGR_001611 54244-EP2301936A1 Losartan monopotassium salt AB0013723 Spectrum2_001677 STL419984 [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolyl]methanol MolPort-006-167-607 BDBM82258 Oprea1_644635 CAS-114798-26-4 SCHEMBL60 CS-2116 (1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methanol DSSTox_GSID_23227 1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-((2'-(1H-tetrazol-5-yl)(1,1'- biphenyl)-4-yl)methyl)- EC 601-329-8 2-butyl-4-chloro-1-[[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1h-imidazole-5-methanol HMS2093E22 54244-EP2270011A1 Jsp001094 54244-EP2298772A1 KS-5004 54244-EP2308839A1 Losartic AC1L1H3Q Spectrum5_001466 UNII-JMS50MPO89 [3H]losartan AN-15301 NCGC00095125-03 BRD-K76205745-001-02-5 PubChem9176 CHEBI:6541 D08146 (2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazol-5-yl)methanol DuP 753 1H-imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- FT-0631074 2-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole HY-17512 54244-EP2287165A2 KBio2_007329 54244-EP2301923A1 MCULE-5204931675 SR-01000763170-3 [2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol MK954 BCP9000861 NSC758699 C07072 SBI-0206766.P001 Cozaar DB00678 114798-26-4 DUP-89 2-Butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl-1H-imidazole-5-methanol GTPL590 I497 54244-EP2295053A1 KBioSS_002193 54244-EP2305219A1 LOSARTAN POTASSIUM AB01563296_01 Spectrum3_000998 Tox21_111435 [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol AKOS015917390 NCGC00095125-01 BG0556 Pharmakon1600-01504268 CAS_114798-26-4 SPBio_001893 CTK8E7663 (1-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methanol DSSTox_RID_76933 1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- (9CI) Epitope ID:140137 2-butyl-4-chloro-5-(hydroxymethyl)-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]imidazole HMS3715L11 54244-EP2272841A1 KBio2_002193 54244-EP2298776A1 L000351 Losartic (TN) Spectrum_001713 ZINC3873160 {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazol-4-yl}-methanol [ Show all ]
Inchi Key	PSIFNNKUMBGKDQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
PubChem CID	3961
ChEMBL	CHEMBL191
IUPHAR	3941, 590
BindingDB	82258
DrugBank	DB00678
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Affinity	6.4 nM	PMID15974591	ChEMBL
Emax	1.0 hr	PMID15974591	ChEMBL
IC50	0.33 nM	PMID22727371	BindingDB,ChEMBL
IC50	1.99 - 39.8 nM	PMID8372104	IUPHAR
IC50	3.2 nM	PMID27480029	BindingDB
IC50	3.236 nM	PMID27480029	ChEMBL
IC50	5.62 nM	PMID22889560	BindingDB
IC50	5.623 nM	PMID22889560, PMID23376252	ChEMBL
IC50	6.0 nM	PMID22889560	BindingDB,ChEMBL
IC50	8.0 nM	Bioorg. Med. Chem. Lett., (1994) 4:1:29	ChEMBL
IC50	16.2 nM	PMID22309912, MedChemComm, (2015) 6:8:1479, PMID22727371, PMID24007859	BindingDB,ChEMBL
IC50	28.0 nM	PMID14761190	ChEMBL
IC50	28.6 nM	PMID26397395	ChEMBL
IC50	88.0 nM	PMID7562905	ChEMBL
Kb	4.0 nM	PMID16610806	ChEMBL
Kb	5.0 nM	PMID15509155	ChEMBL
Kb	9.0 nM	PMID16610806	ChEMBL
Kd	3.311 nM	PMID21071232	ChEMBL
Ki	12.0 nM	PMID26824643	BindingDB,ChEMBL
Ki	17.0 nM	PMID26824643	BindingDB,ChEMBL
pKa	4.9 -	PMID15974591	ChEMBL