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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

NameCHEMBL158210
Molecular formulaC16H21NO
IUPAC name(7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular weight243.35
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50046598
SCHEMBL8673169
8-Allyl-7-allylamino-5,6,7,8-tetrahydro-naphthalen-1-ol
1alpha-Allyl-2alpha-(allylamino)tetralin-8-ol
Inchi KeyAJDDPGPDUSAKBQ-ZIAGYGMSSA-N
Inchi IDInChI=1S/C16H21NO/c1-3-6-13-14(17-11-4-2)10-9-12-7-5-8-15(18)16(12)13/h3-5,7-8,13-14,17-18H,1-2,6,9-11H2/t13-,14-/m1/s1
PubChem CID10466960
ChEMBLCHEMBL158210
IUPHARN/A
BindingDB50046598
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.0 nMPMID8459396BindingDB,ChEMBL

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