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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	BDBM50049190
Molecular formula	C35H38N4O5S
IUPAC name	butyl N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylcarbamate
Molecular weight	626.772
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	7.5
Synonyms	4''''-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-3-methoxy-[1,1'';3'',1'''']terphenyl-4''-sulfonic acid butyloxycarbonylamide(L-163491) N-Butyloxycarbonyl-4''-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-5-(3-methoxy-benzyl)-biphenyl-2-sulfonic acid amide
Inchi Key	FIQSIBCUVDUQMM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H38N4O5S/c1-6-8-18-44-35(40)38-45(41,42)31-17-16-28(27-10-9-11-29(20-27)43-5)21-30(31)26-14-12-25(13-15-26)22-39-32(7-2)37-33-23(3)19-24(4)36-34(33)39/h9-17,19-21H,6-8,18,22H2,1-5H3,(H,38,40)
PubChem CID	44372993
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50049190
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	101.0 nM	PMID14998339	BindingDB

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