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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesHomo sapiens (Human)
GeneHTR1A
Synonym5-HT-1A
5-HT1A
serotonin receptor 1A
5-HT1A receptor
5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled
[ Show all ]
DiseaseUrinary incontinence
Generalized anxiety disorder
Generalized anxiety disorder; Social phobia
Hypertension
Hypoactive sexual desire disorder
[ Show all ]
Length422
Amino acid sequenceMDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProtP08908
Protein Data BankN/A
GPCR-HGmod modelP08908
3D structure modelThis predicted structure model is from GPCR-EXP P08908.
BioLiPN/A
Therapeutic Target DatabaseT78709
ChEMBLCHEMBL214
IUPHAR1
DrugBankBE0000291

Ligand

NameCHEMBL3342852
Molecular formulaC19H28N2O3S
IUPAC name1-(1,4-dioxa-8-thiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
Molecular weight364.504
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM50099435
Inchi KeyAKODHNGEOUFORT-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H28N2O3S/c1-22-18-5-3-2-4-17(18)21-10-8-20(9-11-21)14-16-15-23-19(24-16)6-12-25-13-7-19/h2-5,16H,6-15H2,1H3
PubChem CID118716698
ChEMBLCHEMBL3342852
IUPHARN/A
BindingDB50099435
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Emax36.0 %PMID25261823ChEMBL
Ki9.3 nMPMID25261823BindingDB
Ki9.333 nMPMID25261823ChEMBL
pD27.48 -PMID25261823ChEMBL

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