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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL576147
Molecular formula	C27H31ClN4O3S2
IUPAC name	N-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl]-4-(thiophen-2-ylmethylamino)piperidine-1-carboxamide
Molecular weight	559.14
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.4
Synonyms	BDBM50299347 N-((1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)methyl)-4-(thiophen-2-ylmethylamino)piperidine-1-carboxamide
Inchi Key	BYQQBZFUEDMIQC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H31ClN4O3S2/c28-21-8-11-25(12-9-21)37(34,35)32-23(10-7-20-4-1-2-6-26(20)32)18-30-27(33)31-15-13-22(14-16-31)29-19-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2,(H,30,33)
PubChem CID	45483194
ChEMBL	CHEMBL576147
IUPHAR	N/A
BindingDB	50299347
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID19800231	BindingDB,ChEMBL

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