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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

NameCHEMBL2017869
Molecular formulaC30H38FN3O6S
IUPAC name1-[1-[2-[2-(2-fluoroethoxy)-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]acetyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight587.707
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.0
SynonymsALS-I-41
BDBM50380759
J3.603.231F
Inchi KeySYRRIFTXJYXCIX-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3
PubChem CID57519948
ChEMBLCHEMBL2017869
IUPHARN/A
BindingDB50380759
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.4 nMPMID22425346BindingDB,ChEMBL

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