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GLASS

You can:

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-1A angiotensin II receptor
Species	Rattus norvegicus (Rat)
Gene	Agtr1
Synonym	Angiotensin II type-1A receptor AT1A
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MALNSSAEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVCAFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSSAKKPASCFEVE
UniProt	P25095
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	CHEMBL329
IUPHAR	34
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	GTPL6918 XTEOJPUYZWEXFI-UHFFFAOYSA-N (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 NCGC00386668-01 Carbamic acid, [[3-[4-(1H-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)-2-thienyl]sulfon yl]-, butyl ester compound 21 [PMID: 22802221] SCHEMBL557591 butyl (3-(4-((1H-imidazol-1-yl)methyl)phenyl)-5-isobutylthiophen-2-yl)sulfonylcarbamate M024/C21 ZINC6467610 477775-14-7 C-21 RC2V4W0EYC AKOS030231077 D0K2EX UNII-RC2V4W0EYC butyl 3-(4-((1H-imidazol-1-yl)methyl)phenyl)-5-isobutylthiophen-2-ylsulfonylcarbamate N-Butyloxycarbonyl-3-(4-imidazol-1-ylmethylphenyl)-5-iso-butylthiophene-2-sulfonamide C21 SB18730 BDBM50156173 [ 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	<10000.0 nM	PMID18599297, PMID25699147	BindingDB,ChEMBL

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