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	Bos taurus (Bovine)
Gene	AVPR2
Synonym	Antidiuretic hormone receptor AVPR V2 Renal-type arginine vasopressin receptor V2R
Disease	N/A for non-human GPCRs
Length	370
Amino acid sequence	MFMASTTSAVPWHLSQPTPAGNGSEGELLTARDPLLAQAELALLSTVFVAVALSNGLVLGALVRRGRRGRWAPMHVFIGHLCLADLAVALFQVLPQLAWDATDRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAHRHGGGTHWNRPVLLAWAFSLLFSLPQLFIFAQRDVDGSGVLDCWARFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHASLGPGPVPRAGGPRRGCRPGSPAEGARVSAAVAKTVKMTLVIVIVYVLCWAPFFLVQLWAAWDPEAPREGPPFVLLMLLASLNSCTNPWIYASFSSSISSELRSLLCCTWRRAPPSPGPQEESCATASSFLAKDTPS
UniProt	P48044
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	CHEMBL2344
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL411357
Molecular formula	C45H64N14O12S2
IUPAC name	(4R,7S,10R,13S,16R)-7-(2-amino-2-oxoethyl)-N-[(2R)-1-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-N-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight	1057.21
Hydrogen bond acceptor	15
Hydrogen bond donor	13
XlogP	-4.1
Synonyms	BDBM50016318 [Mpa1,MeAla7,D-Arg8]VP (Vasopressin )
Inchi Key	HQCRRAJYUUUANZ-WBNFCJQJSA-N
Inchi ID	InChI=1S/C45H64N14O12S2/c1-24(38(65)54-28(9-6-17-51-45(49)50)39(66)52-22-36(48)63)59(2)44(71)33-23-73-72-18-16-37(64)53-30(20-26-10-12-27(60)13-11-26)41(68)56-31(19-25-7-4-3-5-8-25)42(69)55-29(14-15-34(46)61)40(67)57-32(21-35(47)62)43(70)58-33/h3-5,7-8,10-13,24,28-33,60H,6,9,14-23H2,1-2H3,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,66)(H,53,64)(H,54,65)(H,55,69)(H,56,68)(H,57,67)(H,58,70)(H4,49,50,51)/t24-,28-,29-,30-,31+,32+,33+/m1/s1
PubChem CID	44385836
ChEMBL	CHEMBL411357
IUPHAR	N/A
BindingDB	50016318
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
Kd	51.0 nM	PMID2416923	BindingDB,ChEMBL
Kd	46000000000.0 nM	PMID2416923	ChEMBL

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