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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	Homo sapiens (Human)
Gene	AVPR1B
Synonym	AVPR3 Vasopressin V3 receptor vasopressin V1b receptor V3/V1b pituitary vasopressin receptor V3 V1bR V1B receptor Antidiuretic hormone receptor 1b AVPR V1b AVPR V3 VPR3 [ Show all ]
Disease	Anxiety disorder Major depressive disorder; Anxiety Major depressive disorder
Length	424
Amino acid sequence	MDSGPLWDANPTPRGTLSAPNATTPWLGRDEELAKVEIGVLATVLVLATGGNLAVLLTLGQLGRKRSRMHLFVLHLALTDLAVALFQVLPQLLWDITYRFQGPDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLQQPGQSTYLLIAAPWLLAAIFSLPQVFIFSLREVIQGSGVLDCWADFGFPWGPRAYLTWTTLAIFVLPVTMLTACYSLICHEICKNLKVKTQAWRVGGGGWRTWDRPSPSTLAATTRGLPSRVSSINTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDKNAPDEDSTNVAFTISMLLGNLNSCCNPWIYMGFNSHLLPRPLRHLACCGGPQPRMRRRLSDGSLSSRHTTLLTRSSCPATLSLSLSLTLSGRPRPEESPRDLELADGEGTAETIIF
UniProt	P47901
Protein Data Bank	N/A
GPCR-HGmod model	P47901
3D structure model	This predicted structure model is from GPCR-EXP P47901.
BioLiP	N/A
Therapeutic Target Database	T59881
ChEMBL	CHEMBL1921
IUPHAR	367
DrugBank	BE0000773

Ligand

Name	N6-Phenyladenosine
Molecular formula	C16H17N5O4
IUPAC name	(2R,3R,4S,5R)-2-(6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	343.343
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.2
Synonyms	NCGC00023481-03 SMR000058677 AC1Q4YO5 CTK1A2659 Opera_ID_298 (2R,3R,4S,5R)-2-(6-anilinopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol BDBM42467 MLS001074192 REGID_for_CID_101430 CHEMBL262083 n-phenyladenosine NCGC00023481-04 (2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol Adenosine, N-phenyl- HMS2234O19 PDSP1_001026 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenylazanylpurin-9-yl)oxolane-3,4-diol CHEBI:112766 MLS002153269 SCHEMBL1050156 AC1L2QTP cid_101430 NSC 517192 (2R,3R,4S,5R)-2-(6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol AKOS030575567 MLS000069355 PDSP2_001010 23589-16-4 N(6)-Phenyladenosine [ Show all ]
Inchi Key	QVUUUSJUORLECR-XNIJJKJLSA-N
Inchi ID	InChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
PubChem CID	101430
ChEMBL	CHEMBL262083
IUPHAR	N/A
BindingDB	42467
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	30881.0 nM	PubChem BioAssay data set	ChEMBL

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