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GPCR

NameVasopressin V1b receptor
SpeciesRattus norvegicus (Rat)
GeneAvpr1b
SynonymVasopressin V3 receptor
vasopressin V1b receptor
V3/V1b pituitary vasopressin receptor
V3
V1bR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length425
Amino acid sequenceMNSEPSWTATPSPGGTLPVPNATTPWLGRDEELAKVEIGILATVLVLATGGNLAVLLTLGRHGHKRSRMHLFVLHLALTDLGVALFQVLPQLLWDITYRFQGSDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLRQPSQSTYPLIAAPWLLAAILSLPQVFIFSLREVIQGSGVLDCWADFYFSWGPRAYITWTTMAIFVLPVAVLSACYGLICHEIYKNLKVKTQAGREERRGWRTWDKSSSSAVATAATRGLPSRVSSISTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDENAPNEDSTNVAFTISMLLGNLSSCCNPWIYMGFNSRLLPRSLSHHACCTGSKPQVHRQLSTSSLTSRRTTLLTHACGSPTLRLSLNLSLRAKPRPAGSLKDLEQVDGEATMETSIF
UniProtP48974
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2659
IUPHAR367
DrugBankN/A

Ligand

NameCHEMBL572984
Molecular formulaC32H41N3O6S2
IUPAC name1-[2-[1-(2,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethylsulfonyl]-N-(2-phenylethyl)piperidin-4-amine
Molecular weight627.815
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50299356
1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)-N-phenethylpiperidin-4-amine
Inchi KeyYPEFEMMVRUXHMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H41N3O6S2/c1-40-29-14-15-32(31(24-29)41-2)43(38,39)35-28(13-12-26-10-6-7-11-30(26)35)19-23-42(36,37)34-21-17-27(18-22-34)33-20-16-25-8-4-3-5-9-25/h3-11,14-15,24,27-28,33H,12-13,16-23H2,1-2H3
PubChem CID45483243
ChEMBLCHEMBL572984
IUPHARN/A
BindingDB50299356
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki91.0 nMPMID19800231BindingDB,ChEMBL

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