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

You can:

GPCR

NameVasopressin V2 receptor
SpeciesBos taurus (Bovine)
GeneAVPR2
SynonymAntidiuretic hormone receptor
AVPR V2
Renal-type arginine vasopressin receptor
V2R
DiseaseN/A for non-human GPCRs
Length370
Amino acid sequenceMFMASTTSAVPWHLSQPTPAGNGSEGELLTARDPLLAQAELALLSTVFVAVALSNGLVLGALVRRGRRGRWAPMHVFIGHLCLADLAVALFQVLPQLAWDATDRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAHRHGGGTHWNRPVLLAWAFSLLFSLPQLFIFAQRDVDGSGVLDCWARFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHASLGPGPVPRAGGPRRGCRPGSPAEGARVSAAVAKTVKMTLVIVIVYVLCWAPFFLVQLWAAWDPEAPREGPPFVLLMLLASLNSCTNPWIYASFSSSISSELRSLLCCTWRRAPPSPGPQEESCATASSFLAKDTPS
UniProtP48044
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2344
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL274397
Molecular formulaC42H63N15O11S2
IUPAC name(4S,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1018.18
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP-4.5
SynonymsBDBM50030087
[Mca1,D-Trp2,Sar7]AVT
Inchi KeyDCDMLXOZYLEZAW-PTUNTIEESA-N
Inchi IDInChI=1S/C42H63N15O11S2/c1-3-21(2)35-41(68)54-26(10-11-30(43)58)38(65)55-28(16-31(44)59)39(66)56-29(37(64)51-19-34(62)52-25(9-6-13-48-42(46)47)36(63)50-18-32(45)60)20-70-69-14-12-33(61)53-27(40(67)57-35)15-22-17-49-24-8-5-4-7-23(22)24/h4-5,7-8,17,21,25-29,35,49H,3,6,9-16,18-20H2,1-2H3,(H2,43,58)(H2,44,59)(H2,45,60)(H,50,63)(H,51,64)(H,52,62)(H,53,61)(H,54,68)(H,55,65)(H,56,66)(H,57,67)(H4,46,47,48)/t21-,25-,26-,27+,28-,29+,35-/m0/s1
PubChem CID44321189
ChEMBLCHEMBL274397
IUPHARN/A
BindingDB50030087
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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

ParameterValueReferenceDatabase source
Kd300000.0 nMPMID7507528BindingDB,ChEMBL

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