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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 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	d[Arg4]AVP
Molecular formula	C47H68N16O11S2
IUPAC name	(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular weight	1097.28
Hydrogen bond acceptor	15
Hydrogen bond donor	14
XlogP	-4.1
Synonyms	CHEMBL375324 BDBM50205305 D0R7QC
Inchi Key	NZPQDNABVFGPNI-POFDKVPJSA-N
Inchi ID	InChI=1S/C47H68N16O11S2/c48-36(65)23-33-43(72)62-34(45(74)63-19-6-11-35(63)44(73)59-29(9-4-17-54-46(50)51)39(68)56-24-37(49)66)25-76-75-20-16-38(67)57-31(22-27-12-14-28(64)15-13-27)41(70)60-32(21-26-7-2-1-3-8-26)42(71)58-30(40(69)61-33)10-5-18-55-47(52)53/h1-3,7-8,12-15,29-35,64H,4-6,9-11,16-25H2,(H2,48,65)(H2,49,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,50,51,54)(H4,52,53,55)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
PubChem CID	44419039
ChEMBL	CHEMBL375324
IUPHAR	N/A
BindingDB	50205305
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.13 nM	PMID17300166	BindingDB,ChEMBL

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