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 ●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
SpeciesRattus norvegicus (Rat)
GeneAvpr2
SynonymAVPR V2
Antidiuretic hormone receptor
ADHR
Renal-type arginine vasopressin receptor
V2 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length371
Amino acid sequenceMLLVSTVSAVPGLFSPPSSPSNSSQEELLDDRDPLLVRAELALLSTIFVAVALSNGLVLGALIRRGRRGRWAPMHVFISHLCLADLAVALFQVLPQLAWDATDRFHGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGGGARWNRPVLVAWAFSLLLSLPQLFIFAQRDVGNGSGVFDCWARFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHASLVPGPSERAGRRRRGRRTGSPSEGAHVSAAMAKTVRMTLVIVIVYVLCWAPFFLVQLWAAWDPEAPLERPPFVLLMLLASLNSCTNPWIYASFSSSVSSELRSLLCCAQRHTTHSLGPQDESCATASSSLMKDTPS
UniProtQ00788
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3766
IUPHAR368
DrugBankN/A

Ligand

NameCHEMBL339450
Molecular formulaC42H54N8O6
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 weight766.944
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.9
Synonyms6,15-Dibenzyl-3-sec-butyl-18-(1H-imidazol-4-ylmethyl)-16-methyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone
BDBM50001332
Inchi KeyBIHVYLXXSXHZID-ALQBPHJJSA-N
Inchi IDInChI=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 CID10395390
ChEMBLCHEMBL339450
IUPHARN/A
BindingDB50001332
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition65.0 %PMID1331448ChEMBL

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