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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-1 angiotensin II receptor
Species	Oryctolagus cuniculus (Rabbit)
Gene	AGTR1
Synonym	Angiotensin II type-1 receptor AT1
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE
UniProt	P34976
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	CHEMBL3948
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL139452
Molecular formula	C36H36Cl2N6O5S
IUPAC name	N-[2-[4-[[3-butyl-1-[2-chloro-5-(propylcarbamoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide
Molecular weight	735.681
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	7.2
Synonyms	5-n-Butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2-[2-chloro-5-(N3 -propylureido)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one BOTYMCYSWSMARZ-UHFFFAOYSA-N N-(2-Chlorobenzoyl)-4'-[[3-butyl-5-oxo-1-[2-chloro-5-[[(propylamino)carbonyl]amino]phenyl]-1H-1,2,4-triazol-4(5H)-yl]methyl]-1,1'-biphenyl-2-sulfonamide 4''-{3-Butyl-1-[2-chloro-5-(3-propyl-ureido)-phenyl]-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl}-biphenyl-2-sulfonic acid 2-chloro-benzoylamide SCHEMBL9565964 BDBM50035462 [ Show all ]
Inchi Key	BOTYMCYSWSMARZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H36Cl2N6O5S/c1-3-5-14-33-41-44(31-22-26(19-20-30(31)38)40-35(46)39-21-4-2)36(47)43(33)23-24-15-17-25(18-16-24)27-10-7-9-13-32(27)50(48,49)42-34(45)28-11-6-8-12-29(28)37/h6-13,15-20,22H,3-5,14,21,23H2,1-2H3,(H,42,45)(H2,39,40,46)
PubChem CID	10259411
ChEMBL	CHEMBL139452
IUPHAR	N/A
BindingDB	50035462
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.14 nM	Med Chem Res, (2013) None:None:1, PMID7799397	ChEMBL
IC50	0.14 nM	, PMID7799397	BindingDB

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