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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

NameCHEMBL574700
Molecular formulaC36H46N6O3
IUPAC name3-[3-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-1-yl]propyl]-5-(2-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Molecular weight610.803
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50298794
(rac)-3-(3-(4-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-1H-1,2,3-triazol-1-yl)propyl)-1-o-tolyl-2,3,4,5-tetrahydro-1Hbenzo[d]azepine-7,8-diol
Inchi KeyACWOUFNDQFUXQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H46N6O3/c1-27-9-3-4-11-30(27)32-26-40(18-14-28-23-34(43)35(44)24-31(28)32)16-8-17-42-25-29(37-38-42)10-7-15-39-19-21-41(22-20-39)33-12-5-6-13-36(33)45-2/h3-6,9,11-13,23-25,32,43-44H,7-8,10,14-22,26H2,1-2H3
PubChem CID44537919
ChEMBLCHEMBL574700
IUPHARN/A
BindingDB50298794
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC50330.0 nMPMID19559623BindingDB,ChEMBL
Emax125.0 %PMID19559623ChEMBL
Ki105.0 nMPMID19559623BindingDB,ChEMBL

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