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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	CHEMBL567176
Molecular formula	C28H34ClN3O2S2
IUPAC name	1-[3-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]propyl]-N-(thiophen-2-ylmethyl)piperidin-4-amine
Molecular weight	544.169
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.8
Synonyms	BDBM50299339 1-(3-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)propyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
Inchi Key	NNHSNTVSIBPBEP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H34ClN3O2S2/c29-23-10-13-27(14-11-23)36(33,34)32-25(12-9-22-5-1-2-8-28(22)32)6-3-17-31-18-15-24(16-19-31)30-21-26-7-4-20-35-26/h1-2,4-5,7-8,10-11,13-14,20,24-25,30H,3,6,9,12,15-19,21H2
PubChem CID	45483282
ChEMBL	CHEMBL567176
IUPHAR	N/A
BindingDB	50299339
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	4617.0 nM	PMID19800231	BindingDB,ChEMBL

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