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-2 angiotensin II receptor
Species	Rattus norvegicus (Rat)
Gene	Agtr2
Synonym	angiotensin II receptor, type 2 MRX88 Agtr2 AT2R AT2-R AT2 receptor angiotensin II receptor angiotensin receptor 2 Angiotensin II type-2 receptor angiotensin II type 2 receptor AT2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	363
Amino acid sequence	MKDNFSFAATSRNITSSLPFDNLNATGTNESAFNCSHKPADKHLEAIPVLYYMIFVIGFAVNIVVVSLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYVVPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLKTNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALTWMGIINSCEVIAVIDLALPFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRVPITWLQGKRETMSCRKSSSLREMDTFVS
UniProt	P35351
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	CHEMBL257
IUPHAR	35
DrugBank	N/A

Ligand

Name	L-158338
Molecular formula	C24H23N7
IUPAC name	7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
Molecular weight	409.497
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.7
Synonyms	7-METHYL-2-PROPYL-3-((2'-(1H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-3H-IMIDAZO[4,5-B]PYRIDINE CTK4B8433 SCHEMBL8565683 3H-Imidazo(4,5-b)pyridine, 7-methyl-2-propyl-3-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)- 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine L 158,338 7-Methyl-2-n-propyl-3-[{2'-(1H-tetrazol-5-yl)biphenyl-4-yl}methyl]-3H-imidazo[4,5-b]pyridine 133240-38-7 7-Methyl-2-propyl-3-(2'-(tetrazol-5-yl)biphen-4-yl)methyl-3H-imidazo[4,5-b]pyridine CYUMNDVYHILLEX-UHFFFAOYSA-N AC1MI0GH L 158338 7-Methyl-2-propyl-3-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-3H-imidazo(4,5-b)pyridine CHEMBL296725 L004396 2H-Imidazo(4,5-b)pyridine, 7-methyl-2-propyl-3-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)4-yl)methyl)- 7-Methyl-2-propyl-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazo[4,5-b]pyridine DTXSID50158025 7-Methyl-2-n-propyl-3-[{2'- (1H-tetrazol-5-yl)biphenyl-4-yl}methyl]-3H-imidazo[4,5-b]pyridine BDBM50009719 L-158,338 [ Show all ]
Inchi Key	CYUMNDVYHILLEX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23N7/c1-3-6-21-26-22-16(2)13-14-25-24(22)31(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,27,28,29,30)
PubChem CID	3036053
ChEMBL	CHEMBL296725
IUPHAR	N/A
BindingDB	50009719
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
ED50	0.14 mg.kg-1	PMID1895308	ChEMBL
IC50	<10000.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:1:17	BindingDB,ChEMBL
IC50	<20000.0 nM	Bioorg. Med. Chem. Lett., (1993) 3:8:1693,	BindingDB,ChEMBL

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