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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	L-162,313
Molecular formula	C30H38N4O4S2
IUPAC name	butyl N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight	582.778
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	7.6
Synonyms	151488-11-8 AKOS030627241 L 162313 MLS002153426 SCHEMBL9132197 SR-01000076212-1 5,7-Dimethyl-2-ethyl-3-[[4-[2(N-butyloxycarbonylsulfonamido)-5-isobutyl-3-thienyl]phenyl]methyl]Imidazo[4,5,6]pyridine butyl 3-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)phenyl)-5-isobutylthiophen-2-ylsulfonylcarbamate EU-0100697 L-162313 NCGC00015596-03 ZINC3918293 C30H38N4O4S2 HMS3262K15 LP00697 NCGC00094051-02 3-[4-(2-Ethyl-57-dimethyl-imidazo[45-b]pyridin-3-ylmethyl)-phenyl]-5-isobutyl-thiophene-2-sulfonic acid butyloxycarbonylamide(L-162313) BDBM50049189 CHEMBL288174 NCGC00015596-01 SMR001230801 Tox21_500697 5,7-Dimethyl-2-ethyl-3-[[4-[2-(n-butyloxycarbonylsulfonamido)-5-isobutyl-3-thienyl]phenyl]methyl]imidazo-[4,5-b]-pyridine butyl N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate FT-0732122 Lopac-L-1415 NCGC00015596-04 (5,7-dimethyl-2-ethyl-3-[[4-[2(n-butyloxycarbonylsulfonamido)-5-isobutyl-3-thienyl]phenyl]methyl]imidazo[4,5,6]pyridine AC1O7G4F CCG-204782 L 1415 MFCD00915204 NCGC00261382-01 butyl (3-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)phenyl)-5-isobutylthiophen-2-yl)sulfonylcarbamate D0A4NO L-162,313, >=95%, solid NCGC00015596-02 SR-01000076212 Z3214 5,7-Dimethyl-2-ethyl-3-[[4-[2??(n-butyloxycarbonylsulfonamido)-5-isobutyl-3-thienyl]phenyl]methyl]imidazo??[4,5-b]??pyridine butyl N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate GTPL3936 Lopac0_000697 NCGC00094051-01 [ Show all ]
Inchi Key	RINPELQWLUGERM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
PubChem CID	6603900
ChEMBL	CHEMBL288174
IUPHAR	3936
BindingDB	50049189
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2.0 nM	PMID8576904, PMID14998339, PMID15537354	BindingDB,ChEMBL
Ki	2.8 nM	PMID14998339, PMID15537354	BindingDB,ChEMBL

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