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GPCR

NameVasopressin V1a receptor
SpeciesHomo sapiens (Human)
GeneAVPR1A
SynonymAVPR V1a
AVPR
Antidiuretic hormone receptor 1a
AVPR1
V1A receptor
[ Show all ]
DiseaseEuvolemic hyponatremia
Hyponatraemia
Dysmenorrhea
Cardiotonic
Infertility
[ Show all ]
Length418
Amino acid sequenceMRLSAGPDAGPSGNSSPWWPLATGAGNTSREAEALGEGNGPPRDVRNEELAKLEIAVLAVTFAVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQMCWDITYRFRGPDWLCRVVKHLQVFGMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAAAWVLSFVLSTPQYFVFSMIEVNNVTKARDCWATFIQPWGSRAYVTWMTGGIFVAPVVILGTCYGFICYNIWCNVRGKTASRQSKGAEQAGVAFQKGFLLAPCVSSVKSISRAKIRTVKMTFVIVTAYIVCWAPFFIIQMWSVWDPMSVWTESENPTITITALLGSLNSCCNPWIYMFFSGHLLQDCVQSFPCCQNMKEKFNKEDTDSMSRRQTFYSNNRSPTNSTGMWKDSPKSSKSIKFIPVST
UniProtP37288
Protein Data BankN/A
GPCR-HGmod modelP37288
3D structure modelThis predicted structure model is from GPCR-EXP P37288.
BioLiPN/A
Therapeutic Target DatabaseT79232
ChEMBLCHEMBL1889
IUPHAR366
DrugBankBE0000165

Ligand

NameCHEMBL1774004
Molecular formulaC25H34ClN3O4S
IUPAC name(2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)propanamide
Molecular weight508.074
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50418381
Inchi KeyBHFAKTJSTIEQNS-QFIPXVFZSA-N
Inchi IDInChI=1S/C25H34ClN3O4S/c1-16-14-23(33-5)17(2)18(3)24(16)34(31,32)28-22(15-19-6-8-20(26)9-7-19)25(30)27-21-10-12-29(4)13-11-21/h6-9,14,21-22,28H,10-13,15H2,1-5H3,(H,27,30)/t22-/m0/s1
PubChem CID54581267
ChEMBLCHEMBL1774004
IUPHARN/A
BindingDB50418381
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki112.2 nMPMID21458261BindingDB,ChEMBL

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