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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-1 angiotensin II receptor
Species	Cavia porcellus (Guinea pig)
Gene	AGTR1
Synonym	Angiotensin II type-1 receptor AT1
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MILNSSTEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADICFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCVIIWLMAGLASLPAVIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFMFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSTLSTKMSTLSYRPSDNVSSSAKKPVQCFEVE
UniProt	Q9WV26
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1671613
IUPHAR	N/A
DrugBank	N/A

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	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 4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid L001953 [ 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	430.0 nM	PMID1433210	BindingDB,ChEMBL

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