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GPCR

Name	Type-2 angiotensin II receptor
Species	Homo sapiens (Human)
Gene	AGTR2
Synonym	AT2 MRX88 Agtr2 angiotensin II receptor angiotensin II receptor, type 2 angiotensin II type 2 receptor Angiotensin II type-2 receptor AT2 receptor angiotensin receptor 2 AT2R AT2-R [ Show all ]
Disease	Postherpetic neuralgia Hypertension
Length	363
Amino acid sequence	MKGNSTLATTSKNITSGLHFGLVNISGNNESTLNCSQKPSDKHLDAIPILYYIIFVIGFLVNIVVVTLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYIVPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLKTNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALAWMGVINSCEVIAVIDLALPFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRVPITWLQGKRESMSCRKSSSLREMETFVS
UniProt	P50052
Protein Data Bank	5xjm, 5unh, 5ung, 5unf
GPCR-HGmod model	P50052
3D structure model	This structure is from PDB ID 5xjm.
BioLiP	BL0419199, BL0375199,BL0375200, BL0375198, BL0375196,BL0375197
Therapeutic Target Database	T09909
ChEMBL	CHEMBL4607
IUPHAR	35
DrugBank	BE0003426

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	CHEBI:41237 AC-17033 Scabagen DB00676 Antiscabiosum SMR000471875 EPA Pesticide Chemical Code 009501 Benzevan Spectrum_001240 HSDB 208 Benzoic acid, benzyl ester Tox21_303418 KBio2_004288 ZINC1021 MCULE-4369643785 Benzyl benzoate, >=99% NCGC00094981-02 Benzyl benzoate, ReagentPlus(R), >=99.0% Novoscabin Benzylbenzenecarboxylate Pharmakon1600-01503002 BRD-K52072429-001-06-1 120-51-4 Colebenz Acarobenzyl Scabiozon DSSTox_GSID_29153 Ascabiol SPECTRUM1503002 FT-0622708 Benzoesaurebenzylester ST50406335 IDI1_000204 Benzoic acid-benzyl ester Vanzoate 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 Caswell No. 082 A19449 SBB058609 D0G1VX AKOS003495939 Scobenol EC 204-402-9 Benylate Spectrum4_000773 HMS2269D24 Benzoic acid benzyl ester; Benzoic acid phenylmethyl ester Tox21_111372_1 KBio1_000204 Benzyl benzenecarboxylate WLN: RVO1R KSC174Q0R Benzyl benzoate [USP:JAN] N863NB338G Benzyl benzoate, natural, >=99%, FCC, FG NCGC00258889-01 Benzyl ester Peruscabin Benzylis benzoas AC1L1DH0 Scabanca DivK1c_000204 ANW-17509 Spasmodin FEMA No. 2138 Benzoate de benzyle SR-01000763773 HY-B0935 Benzoic acid, phenylmethyl ester TR-003391 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 C12537 1dzm CTK0H4808 ACMC-1C8AP Scabitox DSSTox_RID_78686 B0064 Spectrum2_000532 HMS1921P16 benzoic acid benzyl STL183088 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 Venzoate 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 CCG-39578 AB00052298_07 SBI-0051748.P002 DB-041563 AN-22825 SESFRYSPDFLNCH-UHFFFAOYSA-N EINECS 204-402-9 Benylate (TN) Spectrum5_001128 HMS500K06 BENZOIC ACID PHENYLMETHYLESTER Tox21_201337 KBio2_001720 Benzyl benzoat ZB000222 LS-2573 Benzyl benzoate, 99+% NCGC00094981-01 Benzyl benzoate, Pharmaceutical Secondary Standard; Certified Reference Material NINDS_000204 Benzyl phenylformate Peruscabina Benzylum benzoicum CHEMBL1239 AC1Q661C Scabide DSSTox_CID_9153 Ascabin SPBio_000543 FEMA Number 2138 Benzoesaeurebenzylester SR-01000763773-2 I14-6951 BENZOIC ACID,BENZYL ESTER UNII-N863NB338G 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 CAS-120-51-4 4-09-00-00307 (Beilstein Handbook Reference) D01138 AI3-00523 SCHEMBL3038 DTXSID8029153 BDBM50134035 Spectrum3_001757 HMS2092F20 Benzoic acid benzyl ester Tox21_111372 KB-75431 Benzyl alcohol benzoic ester Venzonate 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 [ 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	0.0 %	PMID18672373	ChEMBL
Activity	9.0 %	PMID18672373	ChEMBL

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