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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	SCHEMBL15148200
Molecular formula	C30H30N4O3
IUPAC name	(2S)-4-(2-benzyl-5-methylpyrazol-3-yl)-1-(2,2-diphenylacetyl)piperazine-2-carboxylic acid
Molecular weight	494.595
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.9
Synonyms	US9708275, Compound 16 BDBM261619 (S)-4-(1-benzyl-3-methyl-1H-pyrazol-5-yl)-1-(2,2-diphenylacetyl)piperazine-2-carboxylic acid
Inchi Key	BUHVHDJJGQYGGD-SANMLTNESA-N
Inchi ID	InChI=1S/C30H30N4O3/c1-22-19-27(34(31-22)20-23-11-5-2-6-12-23)32-17-18-33(26(21-32)30(36)37)29(35)28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,19,26,28H,17-18,20-21H2,1H3,(H,36,37)/t26-/m0/s1
PubChem CID	71654878
ChEMBL	N/A
IUPHAR	N/A
BindingDB	261619
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	40.3 nM	N/A	BindingDB

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