Zhang Lab

University of Michigan

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 ●DMFold ●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-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 CINNAMATE
Molecular formula	C16H14O2
IUPAC name	benzyl (E)-3-phenylprop-2-enoate
Molecular weight	238.286
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.8
Synonyms	AS-14650 Benzyl alcohol, cinnamate Benzyl-3-phenylpropenoate Cinnamein FT-0082342 NCGC00166124-01 RP17564 TR-031431 3-Phenyl-acrylic acid, benzyl ester benzyl (E)-3-phenylprop-2-enoate Benzylester kyseliny skoricove Cinnamic acid benzylester J-000961 NSC 11780 SCHEMBL43212 V67O3RO97U (E)-3-Phenyl-acrylic acid benzyl ester AC1NRUZQ AK305315 Benzyl 3-phenyl-2-propenoate Benzyl cinnamate, analytical reference material EINECS 203-109-3 MolPort-003-928-292 Phenylmethyl 3-phenyl-2-propenoate ST51037716 2-Propenoic acid, 3-phenyl-, phenylmethyl ester BDBM50149609 Benzyl alcohol, cinnamic ester Benzylcinnamate Cinnamic acid benzyl HSDB 359 NCGC00166124-02 RTR-031431 trans-Cinnamic acid benzyl ester 8014-16-2 Benzyl (E)-Cinnamate Benzyl cinnamate, 99% Benzylester kyseliny skoricove [Czech] Cinnamic acid, benzyl ester LS-2575 OR52524 SR-01000944730 ZINC12358883 (phenylmethyl) (E)-3-phenylprop-2-enoate AC1Q660Z AKOS002944462 Benzyl 3-phenylpropenoate Benzyl gamma-phenylacrylate CHEMBL361197 FEMA No. 2142 MolPort-009-245-996 PubChem8140 STL282668 3-Phenyl-2-propenoic acid phenylmethyl ester benzyl (2E)-3-phenylprop-2-enoate Benzyl benzeneacrylate Benzylcinnamoate Cinnamic acid benzyl ester I14-4394 NGHOLYJTSCBCGC-VAWYXSNFSA-N SBB067602 UNII-V67O3RO97U (E)-3-phenyl-2-propenoic acid (phenylmethyl) ester A800730 Benzyl .gamma.-phenylacrylate Benzyl cinnamate, >=98% Benzyltrans Cinnamate CJ-13845 M036 phenylmethyl (2E)-3-phenylprop-2-enoate SR-01000944730-1 103-41-3 AI3-01268 [ Show all ]
Inchi Key	NGHOLYJTSCBCGC-VAWYXSNFSA-N
Inchi ID	InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
PubChem CID	5273469
ChEMBL	CHEMBL361197
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	47.2 ug.mL-1	PMID18672373	ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218