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
SpeciesHomo sapiens (Human)
GeneAVPR2
SynonymAVPR V2
antidiuretic hormone receptor
Renal-type arginine vasopressin receptor
DIR3
ADHR
[ Show all ]
DiseaseEuvolemic hyponatremia; Hypervolemic hyponatremia
Enuresis; Polyuria; Diabetes insipidus
Hypervolaemic hyponatraemia; Euvolaemic hyponatraemia
Congestive heart failure
Heart failure
[ Show all ]
Length371
Amino acid sequenceMLMASTTSAVPGHPSLPSLPSNSSQERPLDTRDPLLARAELALLSIVFVAVALSNGLVLAALARRGRRGHWAPIHVFIGHLCLADLAVALFQVLPQLAWKATDRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGSGAHWNRPVLVAWAFSLLLSLPQLFIFAQRNVEGGSGVTDCWACFAEPWGRRTYVTWIALMVFVAPTLGIAACQVLIFREIHASLVPGPSERPGGRRRGRRTGSPGEGAHVSAAVAKTVRMTLVIVVVYVLCWAPFFLVQLWAAWDPEAPLEGAPFVLLMLLASLNSCTNPWIYASFSSSVSSELRSLLCCARGRTPPSLGPQDESCTTASSSLAKDTSS
UniProtP30518
Protein Data BankN/A
GPCR-HGmod modelP30518
3D structure modelThis predicted structure model is from GPCR-EXP P30518.
BioLiPN/A
Therapeutic Target DatabaseT66237
ChEMBLCHEMBL1790
IUPHAR368
DrugBankBE0000293

Ligand

NameCHEMBL1819556
Molecular formulaC37H61N13O11S2
IUPAC name(2S)-N-[(2S)-4-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxobutan-2-yl]-1-[(7R,12R,15S,18S,21S)-7-amino-15-(2-amino-2-oxoethyl)-18-(3-amino-3-oxopropyl)-21-[(2S)-butan-2-yl]-6,14,17,20,23-pentaoxo-9,10-dithia-5,13,16,19,22-pentazaspiro[3.19]tricosane-12-carbonyl]pyrrolidine-2-carboxamide
Molecular weight928.095
Hydrogen bond acceptor15
Hydrogen bond donor12
XlogP-5.8
SynonymsBDBM50350887
Inchi KeyCTMKIFQNZSFCLV-YKRQYRESSA-N
Inchi IDInChI=1S/C37H61N13O11S2/c1-3-18(2)28-34(59)45-20(7-8-25(40)51)31(56)46-22(14-26(41)52)32(57)47-23(17-63-62-16-19(39)29(54)49-37(10-5-11-37)36(61)48-28)35(60)50-13-4-6-24(50)33(58)44-21(9-12-38)30(55)43-15-27(42)53/h18-24,28H,3-17,38-39H2,1-2H3,(H2,40,51)(H2,41,52)(H2,42,53)(H,43,55)(H,44,58)(H,45,59)(H,46,56)(H,47,57)(H,48,61)(H,49,54)/t18-,19-,20-,21-,22-,23-,24-,28-/m0/s1
PubChem CID53363015
ChEMBLCHEMBL1819556
IUPHARN/A
BindingDB50350887
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
EC50380.0 nMPMID21688787BindingDB,ChEMBL
EC50380.19 nMPMID21688787ChEMBL

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