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GLASS

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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	CHEMBL473106
Molecular formula	C17H18N2O2S2
IUPAC name	3-ethyl-4-[1-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-ylidene]-2-sulfanylidene-1,3-thiazolidin-5-one
Molecular weight	346.463
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.4
Synonyms	3-ethyl-4-{1-[(furan-2-yl)methyl]-2,6-dimethyl-1,4-dihydropyridin-4-ylidene}-2-sulfanylidene-1,3-thiazolidin-5-one cid_2369069 Z56821874 AC1M69RW MCULE-5239245735 3-ethyl-4-(1-(furan-2-ylmethyl)-2,6-dimethylpyridin-4(1H)-ylidene)-2-thioxothiazolidin-5-one Oprea1_031057 380344-90-1 HMS1761B01 ZINC3252138 AKOS034457995 MLS000055414 3-ethyl-4-[1-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-ylidene]-2-sulfanylidene-1,3-thiazolidin-5-one SMR000066106 HMS2174A07 BDBM50247213 MolPort-004-000-989 [ Show all ]
Inchi Key	AQWLITYTSYRLNQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N2O2S2/c1-4-18-15(16(20)23-17(18)22)13-8-11(2)19(12(3)9-13)10-14-6-5-7-21-14/h5-9H,4,10H2,1-3H3
PubChem CID	2369069
ChEMBL	CHEMBL473106
IUPHAR	N/A
BindingDB	50247213
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	10471.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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