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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	CHEMBL3416875
Molecular formula	C21H20ClN3O
IUPAC name	(6-chloro-1H-indol-3-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
Molecular weight	365.861
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.1
Synonyms	SCHEMBL4368502 1'-[(6-chloro -1H-indol-3-yl)carbonyl]-1,2-dihydrospiro[indole-3,4'-piperidine] BDBM50077248 HKQVHJRZJYPGJU-UHFFFAOYSA-N 1'-[(6-chloro-1H-indol-3-yl)carbonyl]-1,2-dihydrospiro[indole-3,4'-piperidine]
Inchi Key	HKQVHJRZJYPGJU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20ClN3O/c22-14-5-6-15-16(12-23-19(15)11-14)20(26)25-9-7-21(8-10-25)13-24-18-4-2-1-3-17(18)21/h1-6,11-12,23-24H,7-10,13H2
PubChem CID	59657691
ChEMBL	CHEMBL3416875
IUPHAR	N/A
BindingDB	50077248
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kbapp	20.0 nM	PMID25654260	ChEMBL
Ki	27.0 nM	PMID25654260	BindingDB,ChEMBL

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