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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	Exp7711
Molecular formula	C22H23ClN2O3
IUPAC name	2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
Molecular weight	398.887
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.6
Synonyms	4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid L001953 114798-27-5 DTXSID60150853 [1,1'-Biphenyl]-2-carboxylicacid, 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]- 4''-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-biphenyl-2-carboxylic acid AKOS030533254 4'-Imi CHEMBL274447 SCHEMBL89 2-butyl-1-[(2'-carboxybiphenyl-4-yl)methyl]-4-chloro-5-hydroxymethylimidazole AC1L2XYV Exp 7711 {2-Butyl-5-chloro-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazol-4-yl}-methanol (EXP7711 (IMI)) 4''-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-biphenyl-2-carboxylic acid;H2O BDBM50003399 i4''-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-biphenyl-2-carboxylic acid (1,1'-Biphenyl)-2-carboxylic acid, 4'-((2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)- 4-Chloro-5-hydroxymethyl-3-imidazol-1-ylmethyl-biphenyl-2-carboxylic acid butyl ester CTK0H6905 UUPNFNCKGJOLQE-UHFFFAOYSA-N 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid ACMC-20mkt7 EXP-7711 [ Show all ]
Inchi Key	UUPNFNCKGJOLQE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
PubChem CID	130762
ChEMBL	CHEMBL274447
IUPHAR	N/A
BindingDB	50003399
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	200.0 nM	PMID21413808	BindingDB,ChEMBL

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