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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	CHEMBL397189
Molecular formula	C36H46N4O4
IUPAC name	(4S)-3-[(3S,4R)-1-[(2S)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
Molecular weight	598.788
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.6
Synonyms	BDBM50202883 (S)-3-((3S,4R)-1-((S)-4-methyl-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)pentan-2-yl)-2-oxo-4-((E)-styryl)azetidin-3-yl)-4-phenyloxazolidin-2-one
Inchi Key	APBIHLSOTXCQRP-IVDKHPMNSA-N
Inchi ID	InChI=1S/C36H46N4O4/c1-26(2)24-31(34(41)38-22-18-29(19-23-38)37-20-10-5-11-21-37)39-30(17-16-27-12-6-3-7-13-27)33(35(39)42)40-32(25-44-36(40)43)28-14-8-4-9-15-28/h3-4,6-9,12-17,26,29-33H,5,10-11,18-25H2,1-2H3/b17-16+/t30-,31+,32-,33+/m1/s1
PubChem CID	44428426
ChEMBL	CHEMBL397189
IUPHAR	N/A
BindingDB	50202883
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
IC50	54.0 nM	PMID17234419	BindingDB,ChEMBL

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