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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

NameCHEMBL1242445
Molecular formulaC26H33N3O4
IUPAC name1-[[(2R,4R)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-dioxolan-2-yl]methyl]pyrrolidin-2-one
Molecular weight451.567
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.4
SynonymsBDBM50416778
Inchi KeyAOZOBKDTJZCKJE-GJZUVCINSA-N
Inchi IDInChI=1S/C26H33N3O4/c1-31-24-11-6-5-10-23(24)28-16-14-27(15-17-28)18-22-19-32-26(33-22,21-8-3-2-4-9-21)20-29-13-7-12-25(29)30/h2-6,8-11,22H,7,12-20H2,1H3/t22-,26+/m1/s1
PubChem CID52948119
ChEMBLCHEMBL1242445
IUPHARN/A
BindingDB50416778
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Emax34.0 %PMID20605276ChEMBL
Ki11.22 nMPMID20605276BindingDB,ChEMBL
pD27.14 -PMID20605276ChEMBL

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