Zhang Lab

University of Michigan

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

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●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

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

●BioLiP ●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 V2 receptor
Species	Rattus norvegicus (Rat)
Gene	Avpr2
Synonym	AVPR V2 Antidiuretic hormone receptor ADHR Renal-type arginine vasopressin receptor V2 receptor V2R DIR3 [ Show all ]
Disease	N/A for non-human GPCRs
Length	371
Amino acid sequence	MLLVSTVSAVPGLFSPPSSPSNSSQEELLDDRDPLLVRAELALLSTIFVAVALSNGLVLGALIRRGRRGRWAPMHVFISHLCLADLAVALFQVLPQLAWDATDRFHGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGGGARWNRPVLVAWAFSLLLSLPQLFIFAQRDVGNGSGVFDCWARFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHASLVPGPSERAGRRRRGRRTGSPSEGAHVSAAMAKTVRMTLVIVIVYVLCWAPFFLVQLWAAWDPEAPLERPPFVLLMLLASLNSCTNPWIYASFSSSVSSELRSLLCCAQRHTTHSLGPQDESCATASSSLMKDTPS
UniProt	Q00788
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	CHEMBL3766
IUPHAR	368
DrugBank	N/A

Ligand

Name	CHEMBL339450
Molecular formula	C42H54N8O6
IUPAC name	(3S,6R,9S,15R,18S,21R)-6,15-dibenzyl-3-[(2S)-butan-2-yl]-18-(1H-imidazol-5-ylmethyl)-16-methyl-1,4,7,13,16,19-hexazatricyclo[19.4.0.09,13]pentacosane-2,5,8,14,17,20-hexone
Molecular weight	766.944
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	3.9
Synonyms	BDBM50001332 6,15-Dibenzyl-3-sec-butyl-18-(1H-imidazol-4-ylmethyl)-16-methyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.09,13]pentacosane-2,5,8,14,17,20-hexaone
Inchi Key	BIHVYLXXSXHZID-ALQBPHJJSA-N
Inchi ID	InChI=1S/C42H54N8O6/c1-4-27(2)36-42(56)50-20-12-11-18-33(50)39(53)46-32(24-30-25-43-26-44-30)40(54)48(3)35(23-29-16-9-6-10-17-29)41(55)49-21-13-19-34(49)38(52)45-31(37(51)47-36)22-28-14-7-5-8-15-28/h5-10,14-17,25-27,31-36H,4,11-13,18-24H2,1-3H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t27-,31+,32-,33+,34-,35+,36-/m0/s1
PubChem CID	10395390
ChEMBL	CHEMBL339450
IUPHAR	N/A
BindingDB	50001332
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	65.0 %	PMID1331448	ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218