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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	CHEMBL575986
Molecular formula	C27H32ClN3O4S3
IUPAC name	1-[2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethylsulfonyl]-N-(thiophen-2-ylmethyl)piperidin-4-amine
Molecular weight	594.2
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.7
Synonyms	1-(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine BDBM50299345
Inchi Key	ZGLCFCFZNBHFMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H32ClN3O4S3/c28-22-8-11-26(12-9-22)38(34,35)31-24(10-7-21-4-1-2-6-27(21)31)15-19-37(32,33)30-16-13-23(14-17-30)29-20-25-5-3-18-36-25/h1-6,8-9,11-12,18,23-24,29H,7,10,13-17,19-20H2
PubChem CID	45483255
ChEMBL	CHEMBL575986
IUPHAR	N/A
BindingDB	50299345
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	4963.0 nM	PMID19800231	BindingDB,ChEMBL

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