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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	CHEMBL189568
Molecular formula	C23H29N3O4S2
IUPAC name	butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight	475.622
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.3
Synonyms	Carbamic acid, [[3-[4-(1H-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)-2-thienyl]sulfon yl]-, butyl ester NCGC00386668-01 butyl (3-(4-((1H-imidazol-1-yl)methyl)phenyl)-5-isobutylthiophen-2-yl)sulfonylcarbamate compound 21 [PMID: 22802221] SCHEMBL557591 477775-14-7 C-21 M024/C21 ZINC6467610 AKOS030231077 RC2V4W0EYC butyl 3-(4-((1H-imidazol-1-yl)methyl)phenyl)-5-isobutylthiophen-2-ylsulfonylcarbamate D0K2EX UNII-RC2V4W0EYC C21 N-Butyloxycarbonyl-3-(4-imidazol-1-ylmethylphenyl)-5-iso-butylthiophene-2-sulfonamide BDBM50156173 SB18730 (1-((2''-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methanol Butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate GTPL6918 XTEOJPUYZWEXFI-UHFFFAOYSA-N [ Show all ]
Inchi Key	XTEOJPUYZWEXFI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
PubChem CID	9804984
ChEMBL	CHEMBL189568
IUPHAR	6918
BindingDB	50156173
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	15848.9 nM	PMID22802221	IUPHAR
Ki	0.4 nM	PMID26810314, PMID20493713, PMID25313325, PMID15537354	BindingDB,ChEMBL
Ki	0.4 nM	PMID26810314, PMID25313325	BindingDB
Ki	9.8 nM	PMID24388688	ChEMBL

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