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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	CHEMBL321656
Molecular formula	C40H42N4O3
IUPAC name	N-[3-(dimethylamino)propyl]-1-[4-[(2-phenylbenzoyl)amino]benzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxamide
Molecular weight	626.801
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	6.7
Synonyms	3''N-(3-dimethylaminopropyl)-1-[4-(2-phenylphenylcarboxamido)benzoyl]spiro[2,3,4,5-tetrahydro-1H-benzo[b]azepine-4,1''-(2''-cyclopentene)]-3''-carboxamide BDBM50147228
Inchi Key	AZCBEWVFZCGQLB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C40H42N4O3/c1-43(2)25-10-24-41-37(45)32-21-22-40(28-32)23-26-44(36-16-9-6-13-31(36)27-40)39(47)30-17-19-33(20-18-30)42-38(46)35-15-8-7-14-34(35)29-11-4-3-5-12-29/h3-9,11-20,28H,10,21-27H2,1-2H3,(H,41,45)(H,42,46)
PubChem CID	44336784
ChEMBL	CHEMBL321656
IUPHAR	N/A
BindingDB	50147228
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	5.0 nM	PMID15149662	BindingDB,ChEMBL
IC50	29.0 nM	PMID15149662	BindingDB,ChEMBL

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