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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesHomo sapiens (Human)
GeneHTR1A
Synonym5-HT1A receptor
ADRB2RL1
ADRBRL1
serotonin receptor 1A
5-HT1A
[ Show all ]
DiseaseMajor depressive disorder; Episode; Anxiety
Migraine
Mood disorder
Pain
Parkinson's disease
[ 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

NameCHEMBL144128
Molecular formulaC28H38N6O2
IUPAC name2-[5-[2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-1H-indol-3-yl]ethanamine
Molecular weight490.652
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50054979
5,5'-[(Piperazine-1,4-diyl)bis(ethyleneoxy)]bis[1H-indole-3-(ethanamine)]
2-{5-[2-(4-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethyl}-piperazin-1-yl)-ethoxy]-1H-indol-3-yl}-ethylamine
Inchi KeyAIESARVMTCGTRZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H38N6O2/c29-7-5-21-19-31-27-3-1-23(17-25(21)27)35-15-13-33-9-11-34(12-10-33)14-16-36-24-2-4-28-26(18-24)22(6-8-30)20-32-28/h1-4,17-20,31-32H,5-16,29-30H2
PubChem CID10791244
ChEMBLCHEMBL144128
IUPHARN/A
BindingDB50054979
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.5 nMPMID8960551BindingDB,ChEMBL

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