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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL575773
Molecular formula	C29H34ClN3O3S2
IUPAC name	4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-1-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]butan-1-one
Molecular weight	572.179
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.2
Synonyms	4-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)-1-(4-(thiophen-2-ylmethylamino)piperidin-1-yl)butan-1-one BDBM50299337
Inchi Key	KNKJQCHFWAWCLO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H34ClN3O3S2/c30-23-11-14-27(15-12-23)38(35,36)33-25(13-10-22-5-1-2-8-28(22)33)6-3-9-29(34)32-18-16-24(17-19-32)31-21-26-7-4-20-37-26/h1-2,4-5,7-8,11-12,14-15,20,24-25,31H,3,6,9-10,13,16-19,21H2
PubChem CID	45483182
ChEMBL	CHEMBL575773
IUPHAR	N/A
BindingDB	50299337
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<8000.0 nM	PMID19800231	BindingDB,ChEMBL

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