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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	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	CHEMBL489386
Molecular formula	C18H19ClN4O3
IUPAC name	5-[3-(3-chloro-4-ethoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
Molecular weight	374.825
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.6
Synonyms	BDBM50263912 5-(3-(3-chloro-4-ethoxyphenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
Inchi Key	ATFKUEIQKWUBJO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19ClN4O3/c1-4-26-15-7-5-12(9-14(15)19)18-22-21-16(11-24-2)23(18)13-6-8-17(25-3)20-10-13/h5-10H,4,11H2,1-3H3
PubChem CID	44579441
ChEMBL	CHEMBL489386
IUPHAR	N/A
BindingDB	50263912
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	2900.0 nM	PMID18778939	BindingDB,ChEMBL

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