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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Type-1A angiotensin II receptor
Species	Mus musculus (Mouse)
Gene	Agtr1a
Synonym	Angiotensin II type-1A receptor AT1A
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MALNSSTEDGIKRIQDDCPRAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVCAFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSAAKKPASCSEVE
UniProt	P29754
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	CHEMBL5741
IUPHAR	N/A
DrugBank	N/A

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	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 s4599 CAS-120-51-4 SMR000471875 Spectrum_001240 Tox21_303418 ZINC1021 Scabagen 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 BRD-K52072429-001-06-1 SPECTRUM1503002 ST50406335 Vanzoate Scabiozon 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 RL00855 BZM 120-51-4 Spectrum4_000773 Tox21_111372_1 WLN: RVO1R SBB058609 Scobenol 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 Benzylis benzoas Caswell No. 082 Spasmodin SR-01000763773 TR-003391 Scabanca 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 BRN 2049280 Spectrum2_000532 STL183088 Venzoate Scabitox 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] RTR-003391 C12537 Spectrum5_001128 Tox21_201337 ZB000222 SBI-0051748.P002 SESFRYSPDFLNCH-UHFFFAOYSA-N 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 Benzylum benzoicum CCG-39578 SPBio_000543 SR-01000763773-2 UNII-N863NB338G Scabide 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 Q-200696 BSPBio_003494 Spectrum3_001757 Tox21_111372 Venzonate SCHEMBL3038 [ 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
IC50	107.2 ug.mL-1	PMID18672373	ChEMBL

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