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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	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	CHEMBL308741
Molecular formula	C29H24N2O2
IUPAC name	N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
Molecular weight	432.523
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.8
Synonyms	DPARHLVHKXHJKH-UHFFFAOYSA-N N-[4-(6,7-Dihydro-dibenzo[b,d]azepine-5-carbonyl)-phenyl]-2-methyl-benzamide N-[4-[(6,7-Dihydro-5H-dibenz[b,d]azepin-5-yl]carbonyl]phenyl]-2-methylbenzamide L012714 N-[4-[(6,7-Dihydro-5H-dibenz[b,d]azepin-5-yl)-carbonyl]phenyl]-2-methylbenzamide SCHEMBL8556989 N-[4-(6,7-Dihydro-5H-dibenzo[b,d]azepine-5-ylcarbonyl)phenyl]-2-methylbenzamide N-[4-[(6,7-Dihydro-5H-dibenz[b,d]azepin-5-yl)carbonyl]phenyl]-2-methylbenzamide BDBM50129460 [ Show all ]
Inchi Key	DPARHLVHKXHJKH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H24N2O2/c1-20-8-2-4-10-24(20)28(32)30-23-16-14-22(15-17-23)29(33)31-19-18-21-9-3-5-11-25(21)26-12-6-7-13-27(26)31/h2-17H,18-19H2,1H3,(H,30,32)
PubChem CID	44212554
ChEMBL	CHEMBL308741
IUPHAR	N/A
BindingDB	50129460
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	98.0 nM	PMID12798333	BindingDB,ChEMBL

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