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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-1 angiotensin II receptor
Species	Bos taurus (Bovine)
Gene	AGTR1
Synonym	Angiotensin II type-1 receptor AT1
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MILNSSTEDGIKRIQDDCPKAGRHNYIFIMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKTLKKAYEIQKNKPRKDDIFKIILAIVLFFFFSWVPHQIFTFMDVLIQLGLIRDCKIEDIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSENGNSSTKKPAPCIEVE
UniProt	P25104
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	CHEMBL3374
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	pimobendan
Molecular formula	C19H18N4O2
IUPAC name	3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Molecular weight	334.379
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.7
Synonyms	J-517984 LS-129901 (-)-4,5-Dihydro-6-(2-(4-methoxyphenyl)-1H-benzimidazol-5-yl)-5-methyl-3(2H)-pyridazinone Pimobendan, (+)- 3(2H)-Pyridazinone, 4,5-dihydro-6-(2-(4-methoxyphenyl)-1H-benzimidazol-5-yl)-5-methyl-, (+)- Racemic pinobendan 6-(2-(4-METHOXYPHENYL)-1H-BENZO[D]IMIDAZOL-5-YL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE UD-CG 115 AB0008564 Z-8899 Acardi (TN) BDBM50282617 d-Pimobendan DTXSID8048280 KSC-210-009 MLS006010188 (+)-Pimobendan Pimobendan - Vetmedin 118428-36-7 Pimobendan, United States Pharmacopeia (USP) Reference Standard 3-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one SC-19312 6-[2-(4-Methoxy-phenyl)-1H-benzoimidazol-5-yl]-5-methyl-4,5-dihydro-2H-pyridazin-3-one UD-CG-115BS AB1011451 AKOS015967705 CHEBI:32003 HY-B0204 LS-129899 NCGC00274063-01 (+-)-4,5-Dihydro-6-(2-(p-methoxyphenyl)-5-benzimidazolyl)-5-methyl-3(2H)-pyridazinone Pimobendan [USAN:INN:BAN] 150P279 Pimobendanum 4,5-Dihydro-6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-3(2H)-pyridazinone SW219717-1 74150-27-9 UNII-9HTU209Z0N AC1Q6OY4 BCP02958 CS-2143 D01133 KS-00000GXC LS-185069 Pimobendan (JAN/USAN/INN) (-)-Pimobendan Pimobendan, (-)- 3(2H)-Pyridazinone, 4,5-dihydro-6-(2-(4-methoxyphenyl)-1H-benzimidazol-5-yl)-5-methyl-, (+-)- RP18110 6-(2-(4-methoxyphenyl)-1H-benzo[d]imidazol-6-yl)-5-methyl-4,5-dihydropyridazin-3(2H)-one UD-CG 115 BS AB01274800-01 AK482253 BRN 4207330 FT-0630830 KUC109647N MolPort-001-737-116 (+)-UD-CG 115BS Pimobendan for system suitability, European Pharmacopoeia (EP) Reference Standard 118428-37-8 pimobendane 3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one SCHEMBL27623 6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-4,5-dihydropyridazin-3(2H)-one UDCG-115 AC-689 AN-1099 I06-2191 LS-129900 NCGC00274063-05 (+-)-UD-CG 115BS Pimobendan [USAN:INN] 3(2H)-Pyridazinone, 4,5-dihydro-6-(2-(4-methoxyphenyl)-1H-benzimidazol-5-yl)-5-methyl- Pimobendanum [INN-Latin] ud cg 115 bs 9HTU209Z0N Vetmedin Acardi BCP0726000255 CTK5E4521 dl-Pimobendan KS-1280 MCULE-4183495834 (+)-4,5-Dihydro-6-(2-(4-methoxyphenyl)-1H-benzimidazol-5-yl)-5-methyl-3(2H)-pyridazinone Pimobendan (Vetmedin) (-)-UD-CG 115BS Pimobendan, >=98% (HPLC) 3(2H)-Pyridazinone, 4,5-dihydro-6-(2-(4-methoxyphenyl)-1H-benzimidazol-5-yl)-5-methyl-, (-)- s1550 6-(2-(4-Methoxyphenyl)-4,5-dihydro-1H-benzimidazol-5-yl)-5-methyl-3(2H)-pyridazinone UD-CG-115 AB01274800_02 AKOS015851937 CC-33793 HMS3655I03 l-Pimobendan MolPort-016-633-233 (+-)-4,5-Dihydro-6-(2-(4-methoxyphenyl)-1H-benzimidazol-5-yl)-5-methyl-3(2H)-pyridazinone Pimobendan [INN-Spanish] 118428-38-9 Pimobendane [INN-French] 4,5-dihydro-6-[2-(4-methoxy-phenyl)-1h-benzimidazol-5-yl]-5-methyl-3 (2h)-pyridazinone SMR002530068 613JXV89SU UNII-613JXV89SU AC1L1J18 BC226374 CHEMBL24646 [ Show all ]
Inchi Key	GLBJJMFZWDBELO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)
PubChem CID	4823
ChEMBL	CHEMBL24646
IUPHAR	N/A
BindingDB	50282617
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	17000.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:11:1297	BindingDB,ChEMBL

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