Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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

NameCHEMBL2370378
Molecular formulaC63H97N17O11
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-(4-ethoxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-5-amino-1-[(2R)-2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]butanediamide
Molecular weight1268.58
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP0.8
SynonymsN/A
Inchi KeyAIJYNYNWKGUNQE-FPBZKOLWSA-N
Inchi IDInChI=1S/C63H97N17O11/c1-4-91-42-20-18-38(19-21-42)30-46(73-51(82)35-63-32-39-26-40(33-63)28-41(27-39)34-63)55(85)77-47(29-37-12-6-5-7-13-37)57(87)79-52(36(2)3)59(89)78-48(31-50(65)81)56(86)76-45(14-8-22-64)60(90)80-25-11-17-49(80)58(88)75-44(16-10-24-72-62(69)70)54(84)74-43(53(66)83)15-9-23-71-61(67)68/h5-7,12-13,18-21,36,39-41,43-49,52H,4,8-11,14-17,22-35,64H2,1-3H3,(H2,65,81)(H2,66,83)(H,73,82)(H,74,84)(H,75,88)(H,76,86)(H,77,85)(H,78,89)(H,79,87)(H4,67,68,71)(H4,69,70,72)/t39?,40?,41?,43-,44-,45-,46+,47-,48-,49+,52-,63?/m0/s1
PubChem CID44335327
ChEMBLCHEMBL2370378
IUPHARN/A
BindingDBN/A
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
Effective dose0.9 nM kg-1PMID2231609ChEMBL
Ratio0.6 -PMID2231609ChEMBL

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