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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Abt-418
Molecular formula	C9H14N2O
IUPAC name	3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole
Molecular weight	166.224
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.2
Synonyms	Isoxazole, 3-methyl-5-(1-methyl-2-pyrrolidinyl)-, (S)- ZINC3786099 3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole AKOS006273438 CHEMBL274525 LS-173303 (s)-3-methyl-5-(1-methyl-2-pyrrolidinyl) isoxazole 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole ILLGYRJAYAAAEW-QMMMGPOBSA-N SCHEMBL194161 147402-53-7 Isoxazole, 3-methyl-5-[(2S)-1-methyl-2-pyrrolidinyl]- 3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole BDBM50035398 D09ADT NCGC00165725-01 (S)-3-Methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole Isoxazole, 3-methyl-5-((2S)-1-methyl-2-pyrrolidinyl)- UNII-B9I6MZL7BW component ILLGYRJAYAAAEW-QMMMGPOBSA-N 3-Methyl-5-((S)-1-methyl-pyrrolidin-2-yl)-isoxazole AC1L3OPH KB-74388 (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidinium 3-Methyl-5-(1methyl-2(S)-pyrrolidinyl)isoxazole C9H14N2O DTXSID10163711 NCGC00165725-02 (S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole Abt 418 [ Show all ]
Inchi Key	ILLGYRJAYAAAEW-QMMMGPOBSA-N
Inchi ID	InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
PubChem CID	119380
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50035398
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID7518514	BindingDB

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