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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.
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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	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	DTXSID90581636 923296-45-1 Methanone, (6-chloro-1H-indol-3-yl)[4-(2-chlorophenyl)-1-piperazinyl]- (6-Chloro-1H-indol-3-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone BDBM50077224 CTK3F9091 SCHEMBL612438 [ 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
Kbapp	193.0 nM	PMID25654260	ChEMBL
Ki	118.0 nM	PMID25654260	BindingDB,ChEMBL

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