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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	CHEMBL393754
Molecular formula	C25H32ClN3O3
IUPAC name	N-(1-adamantylmethyl)-2-chloro-5-(9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)benzamide
Molecular weight	457.999
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.3
Synonyms	BDBM50225553 N-adamantan-1-ylmethyl-2-chloro-5-(9-oxa-3,7-diaza-bicyclo[3.3.1]nonane-3-carbonyl)-benzamide
Inchi Key	AVAIOUHGLVMSNA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H32ClN3O3/c26-22-2-1-18(24(31)29-12-19-10-27-11-20(13-29)32-19)6-21(22)23(30)28-14-25-7-15-3-16(8-25)5-17(4-15)9-25/h1-2,6,15-17,19-20,27H,3-5,7-14H2,(H,28,30)
PubChem CID	44434716
ChEMBL	CHEMBL393754
IUPHAR	N/A
BindingDB	50225553
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	7000.0 nM	PMID17963373	BindingDB,ChEMBL

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