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GPCR

NameVasopressin V1a receptor
SpeciesMicrotus ochrogaster (Prairie vole)
GeneAvpr1a
SynonymAntidiuretic hormone receptor 1a
AVPR V1a
V1aR
Vascular/hepatic-type arginine vasopressin receptor
DiseaseN/A for non-human GPCRs
Length420
Amino acid sequenceMSFPRGSYDPAASNSSPWWPLSAEDANSSWEAAGHQKGSDPSGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPTRRSRLMIAASWVLSFLLSTPQYFIFSMIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVVPVVILGTCYGFICYHIWRNVRGKTASRQSKGSGEDVAPFHKGLLVTPCVSSVKTISRAKIRTVKMTFVIVTAYILCWAPFFIVQMWSVWDDNFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCQRMVQKFTKDDSDNMSRRHTSYSNNRSPTNSTGTWKDSPKSSRSIRFIPVST
UniProtQ9WTV9
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2016428
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2017979
Molecular formulaC29H37N3O6S
IUPAC name1-[1-[2-[2-methoxy-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]acetyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight555.69
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.7
SynonymsBDBM50380760
Inchi KeyFAVRBEXAAWYPRQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H37N3O6S/c1-37-27-20-25(38-24-13-17-31(18-14-24)39(2,35)36)9-7-22(27)19-29(34)30-15-11-23(12-16-30)32-26-6-4-3-5-21(26)8-10-28(32)33/h3-7,9,20,23-24H,8,10-19H2,1-2H3
PubChem CID57520031
ChEMBLCHEMBL2017979
IUPHARN/A
BindingDB50380760
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki78.0 nMPMID22425346BindingDB,ChEMBL

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