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GLASS

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GPCR

Name	Vasopressin V1b receptor
Species	Rattus norvegicus (Rat)
Gene	Avpr1b
Synonym	Vasopressin V3 receptor vasopressin V1b receptor V3/V1b pituitary vasopressin receptor V3 V1bR V1B receptor AVPR3 AVPR V3 AVPR V1b Antidiuretic hormone receptor 1b VPR3 [ Show all ]
Disease	N/A for non-human GPCRs
Length	425
Amino acid sequence	MNSEPSWTATPSPGGTLPVPNATTPWLGRDEELAKVEIGILATVLVLATGGNLAVLLTLGRHGHKRSRMHLFVLHLALTDLGVALFQVLPQLLWDITYRFQGSDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLRQPSQSTYPLIAAPWLLAAILSLPQVFIFSLREVIQGSGVLDCWADFYFSWGPRAYITWTTMAIFVLPVAVLSACYGLICHEIYKNLKVKTQAGREERRGWRTWDKSSSSAVATAATRGLPSRVSSISTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDENAPNEDSTNVAFTISMLLGNLSSCCNPWIYMGFNSRLLPRSLSHHACCTGSKPQVHRQLSTSSLTSRRTTLLTHACGSPTLRLSLNLSLRAKPRPAGSLKDLEQVDGEATMETSIF
UniProt	P48974
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	CHEMBL2659
IUPHAR	367
DrugBank	N/A

Ligand

Name	Mozavaptan
Molecular formula	C27H29N3O2
IUPAC name	N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
Molecular weight	427.548
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.5
Synonyms	AN-12174 DSSTox_RID_97316 KB-55102 N-(4-((5-(Dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl)phenyl)-2-methylbenzamide NCGC00262931-01 SB18801 5-(Dimethylamino)-1-[4-(2-methylbenzamido)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine BDBM35714 CS-6286 EX-A1127 LS-26673 N-[4-(5-dimethylamino2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide Opc-31260 VA11331 A807320 AK326129 CAS-137975-06-5 DSSTox_CID_31430 HY-18346 Mozavaptan [INN] N-[4-[[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]phenyl]-2-methylbenzamide RL01669 4CA-0941 AS-35085 CHEMBL420762 DTXSID8057641 KS-00000XI4 N-(4-(5-(dimethylamino)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)phenyl)-2-methylbenzamide NCGC00262931-02 SCHEMBL1649322 5-Dimethylamino-1-(4-(2-methylbenzoylamino)benzoyl)-2,3,4,5-tetrahydro-1H-benzazepine Benzamide, N-(4-((5-(dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl)phenyl)-2-methyl- D0F4NS FT-0652996 MolPort-019-991-660 N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methyl-benzamide OPC31260 2563AH AC-4255 AKOS015895761 CHEBI:135694 DSSTox_GSID_57641 I06-1501 N-(4-(((5RS)-5-(Dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl)phenyl)-2-methylbenzamide N-[4-[[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]phenyl]-2-methyl-benzamide s2920 5-(dimethylamino)-1-(4-(2-methylbenzamido)benzoyl)-2,3,4,5-tetrahydro-1h-benzazepine BCP06718 CM0159 EBD17887 L001435 N-[4-(5-Dimethylamino-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-phenyl]-2-methyl-benzamide Opc 31260 Tox21_113926 137975-06-5 975M065 AC1L3OOQ C27H29N3O2 D0IW7O GTPL2197 N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide Q-101868 [ Show all ]
Inchi Key	WRNXUQJJCIZICJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)
PubChem CID	119369
ChEMBL	CHEMBL420762
IUPHAR	2197
BindingDB	35714
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID9223568	BindingDB

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