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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	CHEMBL160930
Molecular formula	C32H28N2O7
IUPAC name	methyl 2-(2,2-diphenylacetyl)-6-methoxy-5-(4-nitrophenoxy)-3,4-dihydro-1H-isoquinoline-3-carboxylate
Molecular weight	552.583
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.8
Synonyms	(RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(4-nitrophenoxy)-3-isoquinolinecarboxylic acid, methyl ester BDBM50282397 CTLDUBFDLUTHIK-UHFFFAOYSA-N 2-Diphenylacetyl-6-methoxy-5-(4-nitro-phenoxy)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid methyl ester
Inchi Key	CTLDUBFDLUTHIK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H28N2O7/c1-39-28-18-13-23-20-33(31(35)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22)27(32(36)40-2)19-26(23)30(28)41-25-16-14-24(15-17-25)34(37)38/h3-18,27,29H,19-20H2,1-2H3
PubChem CID	15230315
ChEMBL	CHEMBL160930
IUPHAR	N/A
BindingDB	50282397
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	370.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:1:57	BindingDB,ChEMBL

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