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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Type-1 angiotensin II receptor
Species	Sus scrofa (Pig)
Gene	AGTR1
Synonym	Angiotensin II type-1 receptor AT1
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MILNSSTEDSIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIHDCKIADIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSENGSSSTKKSAPCTEVE
UniProt	P30555
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	CHEMBL5743
IUPHAR	N/A
DrugBank	N/A

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
Ki	0.4 nM	PMID18599297	BindingDB,ChEMBL

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