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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	CHEMBL572921
Molecular formula	C26H30ClN3O4S3
IUPAC name	1-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methylsulfonyl]-N-(thiophen-2-ylmethyl)piperidin-4-amine
Molecular weight	580.173
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.3
Synonyms	1-((1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)methylsulfonyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine BDBM50299344
Inchi Key	NGRSBEOWJSJJPL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H30ClN3O4S3/c27-21-8-11-25(12-9-21)37(33,34)30-23(10-7-20-4-1-2-6-26(20)30)19-36(31,32)29-15-13-22(14-16-29)28-18-24-5-3-17-35-24/h1-6,8-9,11-12,17,22-23,28H,7,10,13-16,18-19H2
PubChem CID	45483323
ChEMBL	CHEMBL572921
IUPHAR	N/A
BindingDB	50299344
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	8734.0 nM	PMID19800231	BindingDB,ChEMBL

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