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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	CHEMBL458635
Molecular formula	C26H25N3O4S
IUPAC name	4-methoxy-N-(6-methoxypyridin-3-yl)-N-[[5-(2-methylphenyl)pyridin-2-yl]methyl]benzenesulfonamide
Molecular weight	475.563
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.3
Synonyms	BDBM50413714
Inchi Key	BJACFZCSEUDRAZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H25N3O4S/c1-19-6-4-5-7-25(19)20-8-9-21(27-16-20)18-29(22-10-15-26(33-3)28-17-22)34(30,31)24-13-11-23(32-2)12-14-24/h4-17H,18H2,1-3H3
PubChem CID	44581242
ChEMBL	CHEMBL458635
IUPHAR	N/A
BindingDB	50413714
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	15.85 nM	PMID19081251	BindingDB,ChEMBL

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