Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Molecular formula	C15H21N5O3
IUPAC name	N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Molecular weight	319.365
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	0.8
Synonyms	Oprea1_402681 ZINC263593 2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-cyclohexylacetamide MCULE-4973234518 SR-01000432240 AKOS000677429 N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide STK090688 CHEMBL1541812 SCHEMBL10279695 41838-16-8 MLS001079022 N-Cyclohexyl-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetamide SR-01000432240-1 BAS 01129982 Oprea1_102300 Z19358327 HMS2969B11 SMR000711000 AC1LFBKM MolPort-000-804-699 N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamide ST50719036 [ Show all ]
Inchi Key	FQXXUVFUWQGLPR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H21N5O3/c1-18-13-12(14(22)19(2)15(18)23)20(9-16-13)8-11(21)17-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,17,21)
PubChem CID	775376
ChEMBL	CHEMBL1541812
IUPHAR	N/A
BindingDB	N/A
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	48943.1 nM	PubChem BioAssay data set	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417