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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	BENZYL BENZOATE
Molecular formula	C14H12O2
IUPAC name	benzyl benzoate
Molecular weight	212.248
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.0
Synonyms	s4599 CAS-120-51-4 4-09-00-00307 (Beilstein Handbook Reference) D01138 AI3-00523 DTXSID8029153 BDBM50134035 HMS2092F20 Benzoic acid benzyl ester KB-75431 Benzyl alcohol benzoic ester KS-00000UHX Benzyl benzoate [USAN:JAN] MolPort-001-740-297 Benzyl benzoate, meets USP testing specifications NCGC00257502-01 Benzyl benzoate, Vetec(TM) reagent grade, 98% NSC8081 Benzylets ST50406335 Vanzoate Scabiozon SPECTRUM1503002 BRD-K52072429-001-06-1 CHEBI:41237 AC-17033 DB00676 Antiscabiosum EPA Pesticide Chemical Code 009501 Benzevan HSDB 208 Benzoic acid, benzyl ester KBio2_004288 MCULE-4369643785 Benzyl benzoate, >=99% NCGC00094981-02 Benzyl benzoate, ReagentPlus(R), >=99.0% Novoscabin Benzylbenzenecarboxylate Pharmakon1600-01503002 Tox21_111372_1 WLN: RVO1R SBB058609 Scobenol Spectrum4_000773 RL00855 BZM 120-51-4 Colebenz Acarobenzyl DSSTox_GSID_29153 Ascabiol FT-0622708 Benzoesaurebenzylester IDI1_000204 Benzoic acid-benzyl ester KBioGR_001186 Benzyl benzoate 99+ % MLS001336003 Benzyl benzoate, certified reference material, TraceCERT(R) NCGC00094981-05 Benzyl benzoate, tested according to Ph.Eur. NSC-8081 Benzylester kyseliny benzoove SR-01000763773 TR-003391 Scabanca Spasmodin Benzylis benzoas Caswell No. 082 A19449 D0G1VX AKOS003495939 EC 204-402-9 Benylate HMS2269D24 Benzoic acid benzyl ester; Benzoic acid phenylmethyl ester KBio1_000204 Benzyl benzenecarboxylate KSC174Q0R Benzyl benzoate [USP:JAN] N863NB338G Benzyl benzoate, natural, >=99%, FCC, FG NCGC00258889-01 Benzyl ester Peruscabin STL183088 Venzoate Scabitox Spectrum2_000532 BRN 2049280 AC1L1DH0 DivK1c_000204 ANW-17509 FEMA No. 2138 Benzoate de benzyle HY-B0935 Benzoic acid, phenylmethyl ester KBio2_006856 Benzyl benzoate (JP17/USP) MFCD00003075 Benzyl benzoate, >=99%, FCC, FG NCGC00094981-03 Benzyl benzoate, SAJ first grade, >=98.0% NSC 8081 benzylbenzoat Phenylmethyl benzoate Tox21_201337 ZB000222 SBI-0051748.P002 SESFRYSPDFLNCH-UHFFFAOYSA-N Spectrum5_001128 RTR-003391 C12537 1dzm CTK0H4808 ACMC-1C8AP DSSTox_RID_78686 B0064 HMS1921P16 benzoic acid benzyl InChI=1/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H Benzoic acid-benzyl ester 5000 microg/mL in Hexane KBioSS_001720 BENZYL BENZOATE BP98 MLS001336004 Benzyl benzoate, for synthesis, 99.0% NCGC00094981-07 Benzyl benzoate, United States Pharmacopeia (USP) Reference Standard NSC758204 Benzylester kyseliny benzoove [Czech] SR-01000763773-2 UNII-N863NB338G Scabide SPBio_000543 Benzylum benzoicum CCG-39578 AB00052298_07 DB-041563 AN-22825 EINECS 204-402-9 Benylate (TN) HMS500K06 BENZOIC ACID PHENYLMETHYLESTER KBio2_001720 Benzyl benzoat LS-2573 Benzyl benzoate, 99+% NCGC00094981-01 Benzyl benzoate, Pharmaceutical Secondary Standard; Certified Reference Material NINDS_000204 Benzyl phenylformate Peruscabina Tox21_111372 Venzonate SCHEMBL3038 Spectrum3_001757 Q-200696 BSPBio_003494 CHEMBL1239 AC1Q661C DSSTox_CID_9153 Ascabin FEMA Number 2138 Benzoesaeurebenzylester I14-6951 BENZOIC ACID,BENZYL ESTER KBio3_002714 Benzyl benzoate (natural) MLS001066412 Benzyl benzoate, analytical standard NCGC00094981-04 Benzyl benzoate, SAJ special grade, >=99.0% NSC-758204 benzylbenzoate Spectrum_001240 Tox21_303418 ZINC1021 Scabagen SMR000471875 [ Show all ]
Inchi Key	SESFRYSPDFLNCH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
PubChem CID	2345
ChEMBL	CHEMBL1239
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	21.0 %	PMID18672373	ChEMBL
Activity	62.0 %	PMID18672373	ChEMBL

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