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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	CHEMBL244389
Molecular formula	C40H44F3N5O5
IUPAC name	(2R)-5-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-5-(4-propan-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pentanamide
Molecular weight	731.817
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	5.1
Synonyms	BDBM50202897 (R)-N-(3-(trifluoromethyl)benzyl)-5-(4-isopropylpiperazin-1-yl)-5-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanamide
Inchi Key	BRGWNGLOWPEQOP-MVJLNBOHSA-N
Inchi ID	InChI=1S/C40H44F3N5O5/c1-27(2)45-20-22-46(23-21-45)35(49)19-18-33(37(50)44-25-29-12-9-15-31(24-29)40(41,42)43)47-32(17-16-28-10-5-3-6-11-28)36(38(47)51)48-34(26-53-39(48)52)30-13-7-4-8-14-30/h3-17,24,27,32-34,36H,18-23,25-26H2,1-2H3,(H,44,50)/b17-16+/t32-,33-,34-,36+/m1/s1
PubChem CID	44428547
ChEMBL	CHEMBL244389
IUPHAR	N/A
BindingDB	50202897
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	13.0 nM	PMID17234419	BindingDB,ChEMBL

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