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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

NameCHEMBL572921
Molecular formulaC26H30ClN3O4S3
IUPAC name1-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methylsulfonyl]-N-(thiophen-2-ylmethyl)piperidin-4-amine
Molecular weight580.173
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50299344
1-((1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)methylsulfonyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
Inchi KeyNGRSBEOWJSJJPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30ClN3O4S3/c27-21-8-11-25(12-9-21)37(33,34)30-23(10-7-20-4-1-2-6-26(20)30)19-36(31,32)29-15-13-22(14-16-29)28-18-24-5-3-17-35-24/h1-6,8-9,11-12,17,22-23,28H,7,10,13-16,18-19H2
PubChem CID45483323
ChEMBLCHEMBL572921
IUPHARN/A
BindingDB50299344
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2690.0 nMPMID19800231BindingDB,ChEMBL

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