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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.
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	Vasopressin V1a receptor
Species	Homo sapiens (Human)
Gene	AVPR1A
Synonym	AVPR V1a AVPR Antidiuretic hormone receptor 1a AVPR1 V1A receptor V1aR Vascular/hepatic-type arginine vasopressin receptor [ Show all ]
Disease	Euvolemic hyponatremia Hyponatraemia Dysmenorrhea Cardiotonic Infertility Localisation Autism Anxiety disorder Septic shock Acute and chronic heart failure Hypertension [ Show all ]
Length	418
Amino acid sequence	MRLSAGPDAGPSGNSSPWWPLATGAGNTSREAEALGEGNGPPRDVRNEELAKLEIAVLAVTFAVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQMCWDITYRFRGPDWLCRVVKHLQVFGMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAAAWVLSFVLSTPQYFVFSMIEVNNVTKARDCWATFIQPWGSRAYVTWMTGGIFVAPVVILGTCYGFICYNIWCNVRGKTASRQSKGAEQAGVAFQKGFLLAPCVSSVKSISRAKIRTVKMTFVIVTAYIVCWAPFFIIQMWSVWDPMSVWTESENPTITITALLGSLNSCCNPWIYMFFSGHLLQDCVQSFPCCQNMKEKFNKEDTDSMSRRQTFYSNNRSPTNSTGMWKDSPKSSKSIKFIPVST
UniProt	P37288
Protein Data Bank	N/A
GPCR-HGmod model	P37288
3D structure model	This predicted structure model is from GPCR-EXP P37288.
BioLiP	N/A
Therapeutic Target Database	T79232
ChEMBL	CHEMBL1889
IUPHAR	366
DrugBank	BE0000165

Ligand

Name	CHEMBL492029
Molecular formula	C20H24N4O3
IUPAC name	5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
Molecular weight	368.437
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.7
Synonyms	BDBM50263856 SCHEMBL8281027 5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
Inchi Key	CMWAFGVDYAWHSS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
PubChem CID	44579399
ChEMBL	CHEMBL492029
IUPHAR	N/A
BindingDB	50263856
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	549.0 nM	PMID20550119	BindingDB,ChEMBL
Ki	594.0 nM	PMID18778939	BindingDB,ChEMBL

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