Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Type-1 angiotensin II receptor
Species	Cavia porcellus (Guinea pig)
Gene	AGTR1
Synonym	Angiotensin II type-1 receptor AT1
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MILNSSTEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADICFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCVIIWLMAGLASLPAVIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFMFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSTLSTKMSTLSYRPSDNVSSSAKKPVQCFEVE
UniProt	Q9WV26
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1671613
IUPHAR	N/A
DrugBank	N/A

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	Losartan monopotassium salt AB0013723 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 Spectrum_001713 ZINC3873160 {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazol-4-yl}-methanol 54244-EP2308839A1 Losartic AC1L1H3Q 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 SPECTRUM1504268 SR-01000763170-4 [2-butyl-5-chloro-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol MCULE-5204931675 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 Spectrum4_001126 Tox21_111435_1 [3H]-losartan LOSARTAN POTASSIUM AB01563296_01 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 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 Losartic (TN) 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 Spectrum2_001677 STL419984 [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolyl]methanol Losartan (INN) A803239 MFCD00865831 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 Spectrum5_001466 UNII-JMS50MPO89 [3H]losartan 54244-EP2308562A2 Losartan [INN:BAN] AB07507 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 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 798L264 LS-78746 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 Spectrum3_000998 Tox21_111435 [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]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
IC50	18.0 nM	PMID8487261, Bioorg. Med. Chem. Lett., (1994) 4:21:2615	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417