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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	Rattus norvegicus (Rat)
Gene	Avpr1a
Synonym	AVPR AVPR V1a AVPR1 antidiuretic hormone receptor 1a V1A receptor V1aR Vascular/hepatic-type arginine vasopressin receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	424
Amino acid sequence	MSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFILSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGFICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFIPVST
UniProt	P30560
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	CHEMBL2868
IUPHAR	366
DrugBank	N/A

Ligand

Name	CHEMBL299532
Molecular formula	C25H19BrN4O2
IUPAC name	2-bromo-N-[5-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)pyridin-2-yl]benzamide
Molecular weight	487.357
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50078660 SCHEMBL7389615 FVUQSOHHXAGXSN-UHFFFAOYSA-N 10-[6-(2-Bromobenzoylamino)-3-pyridinylcarbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine N-[5-(5H-pyrrolo-[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl]-2-bromobenzamide L015163 N-[5-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl]-2-bromobenzamide N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-pyridin-2-yl]-2-bromo-benzamide [ Show all ]
Inchi Key	FVUQSOHHXAGXSN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H19BrN4O2/c26-21-9-3-2-8-20(21)24(31)28-23-12-11-17(14-27-23)25(32)30-16-19-7-5-13-29(19)15-18-6-1-4-10-22(18)30/h1-14H,15-16H2,(H,27,28,31)
PubChem CID	18917497
ChEMBL	CHEMBL299532
IUPHAR	N/A
BindingDB	50078660
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	7.0 nM	PMID10406633	BindingDB,ChEMBL

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