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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

NameCHEMBL418692
Molecular formulaC26H33N3O3
IUPAC name1-[1-[4-(5-aminopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight435.568
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50045158
SCHEMBL7287368
1-{1-[4-(5-Amino-pentyloxy)-benzoyl]-piperidin-4-yl}-3,4-dihydro-1H-quinolin-2-one
Inchi KeyBNICCTVCUCXRHZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33N3O3/c27-16-4-1-5-19-32-23-11-8-21(9-12-23)26(31)28-17-14-22(15-18-28)29-24-7-3-2-6-20(24)10-13-25(29)30/h2-3,6-9,11-12,22H,1,4-5,10,13-19,27H2
PubChem CID14969546
ChEMBLCHEMBL418692
IUPHARN/A
BindingDB50045158
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50280.0 nMPMID8393113BindingDB,ChEMBL

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