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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Vasopressin V1a receptor
Species	Mus musculus (Mouse)
Gene	Avpr1a
Synonym	Antidiuretic hormone receptor 1a AVPR AVPR V1a AVPR1 V1A receptor V1aR Vascular/hepatic-type arginine vasopressin receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	423
Amino acid sequence	MSFPRGSHDLPAGNSSPWWPLTTEGANSSREAAGLGEGGSPPGDVRNEELAKLEVTVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASSYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAASWGLSFVLSIPQYFIFSVIEFEVNNGTKAQDCWATFIPPWGTRAYVTWMTSGVFVVPVIILGTCYGFICYHIWRNVRGKTASRQSKGGKGSGEAAGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWTPFFIVQMWSVWDTNFVWTDSENPSTTITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCQSIAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGTWKDSPKSSKSIRFIPVST
UniProt	Q62463
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3414410
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3416880
Molecular formula	C19H17Cl2N3O
IUPAC name	(6-chloro-1H-indol-3-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
Molecular weight	374.265
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.4
Synonyms	923296-45-1 (6-Chloro-1H-indol-3-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone Methanone, (6-chloro-1H-indol-3-yl)[4-(2-chlorophenyl)-1-piperazinyl]- BDBM50077224 CTK3F9091 SCHEMBL612438 DTXSID90581636 [ Show all ]
Inchi Key	ZDUAQXCLICAACJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H17Cl2N3O/c20-13-5-6-14-15(12-22-17(14)11-13)19(25)24-9-7-23(8-10-24)18-4-2-1-3-16(18)21/h1-6,11-12,22H,7-10H2
PubChem CID	16063234
ChEMBL	CHEMBL3416880
IUPHAR	N/A
BindingDB	50077224
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1972.0 nM	PMID25654260	BindingDB,ChEMBL

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