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GLASS

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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	CHEMBL310416
Molecular formula	C27H22ClN3O2
IUPAC name	N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-methylbenzamide
Molecular weight	455.942
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.7
Synonyms	FEBJVBOYUNFEAD-UHFFFAOYSA-N N-[4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10 (11H) -ylcarbonyl) -3-chlorophenyl]-2-methylbenzamide N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-3-chloro-phenyl]-2-methyl-benzamide N-[4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)-3-chlorophenyl]-2-methylbenzamide N-[4-(5H-pyrrolo-[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)-3-chlorophenyl]-2-methylbenzamide SCHEMBL7339573 BDBM50065121 [ Show all ]
Inchi Key	FEBJVBOYUNFEAD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H22ClN3O2/c1-18-7-2-4-10-22(18)26(32)29-20-12-13-23(24(28)15-20)27(33)31-17-21-9-6-14-30(21)16-19-8-3-5-11-25(19)31/h2-15H,16-17H2,1H3,(H,29,32)
PubChem CID	10742418
ChEMBL	CHEMBL310416
IUPHAR	N/A
BindingDB	50065121
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	54.0 nM	PMID9651149	BindingDB,ChEMBL

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