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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.
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GPCR

Name	Type-1B angiotensin II receptor
Species	Rattus norvegicus (Rat)
Gene	Agtr1b
Synonym	Angiotensin II type-1B receptor AT1B AT3
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPTAKSHAGLSTKMSTLSYRPSDNMSSSAKKSASFFEVE
UniProt	P29089
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	CHEMBL263
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	141872-46-0
Molecular formula	C23H23N7O2
IUPAC name	4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid
Molecular weight	429.484
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.8
Synonyms	4-(((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)(butyl)amino)pyrimidine-5-carboxylic acid 5-Pyrimidinecarboxylic acid, 4-(butyl((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)amino)- AC1Q5UC5 CTK0I0417 SCHEMBL7939345 4-[butyl([2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5-pyrimidinecarboxylic acid A 81282 BDBM50003155 FT-0643333 4-{Butyl-[2''''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-pyrimidine-5-carboxylic acid Abbott-81282 MolPort-039-032-861 4-(butyl{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}amino)pyrimidine-5-carboxylic acid 5-Pyrimidinecarboxylicacid, 4-[butyl[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]- ACMC-20cd64 CTK8G9360 ZINC1533713 4-[Butyl([2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5pyrimidinecarboxylic acid A-81282 C-35576 KB-188739 4-{Butyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-pyrimidine-5-carboxylic acid;5Hydro chloride AC1L4U4U CHEMBL333534 Oprea1_016094 4-(N-n-Butyl-N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)amino)pyrimidine-5-carboxylic acid AKOS027380884 DTXSID70161839 4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid Abbott 81282 CC-17571 L006791 [ Show all ]
Inchi Key	AHZXSVWCNDLJER-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
PubChem CID	192314
ChEMBL	CHEMBL333534
IUPHAR	N/A
BindingDB	50003155
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.13 nM	PMID1433184	BindingDB,ChEMBL

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