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GPCR

NameVasopressin V1a receptor
SpeciesRattus norvegicus (Rat)
GeneAvpr1a
SynonymAVPR
AVPR V1a
AVPR1
antidiuretic hormone receptor 1a
V1A receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length424
Amino acid sequenceMSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFILSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGFICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFIPVST
UniProtP30560
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2868
IUPHAR366
DrugBankN/A

Ligand

NameCHEMBL64695
Molecular formulaC25H30N2O3
IUPAC name1-[1-(4-butoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight406.526
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50045139
SCHEMBL7286576
1-[1-(4-Butoxy-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
Inchi KeyDCFPOFBRPADJDQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N2O3/c1-2-3-18-30-22-11-8-20(9-12-22)25(29)26-16-14-21(15-17-26)27-23-7-5-4-6-19(23)10-13-24(27)28/h4-9,11-12,21H,2-3,10,13-18H2,1H3
PubChem CID14969538
ChEMBLCHEMBL64695
IUPHARN/A
BindingDB50045139
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50420.0 nMPMID8393113BindingDB,ChEMBL

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