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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

NameCHEMBL583082
Molecular formulaC29H37N3O6S3
IUPAC name1-[2-[1-(2,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethylsulfonyl]-N-(thiophen-3-ylmethyl)piperidin-4-amine
Molecular weight619.81
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50299350
1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
Inchi KeyAYFSDKAZINYIAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H37N3O6S3/c1-37-26-9-10-29(28(19-26)38-2)41(35,36)32-25(8-7-23-5-3-4-6-27(23)32)14-18-40(33,34)31-15-11-24(12-16-31)30-20-22-13-17-39-21-22/h3-6,9-10,13,17,19,21,24-25,30H,7-8,11-12,14-16,18,20H2,1-2H3
PubChem CID45483237
ChEMBLCHEMBL583082
IUPHARN/A
BindingDB50299350
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki33.0 nMPMID19800231BindingDB,ChEMBL

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