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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

Namehaloperidol
Molecular formulaC21H23ClFNO2
IUPAC name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular weight375.868
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
Synonyms4763-EP2298776A1
DSSTox_RID_79117
4763-EP2316834A1
Eukystol
AB00052008-22
[ Show all ]
Inchi KeyLNEPOXFFQSENCJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PubChem CID3559
ChEMBLCHEMBL54
IUPHAR86
BindingDB21398
DrugBankDB00502

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501500.0 nMPMID9622542BindingDB,ChEMBL
Ki1202.0 nMPMID12629531, http://pdsp.med.unc.edu/pdsp.phpPDSP,BindingDB
Ki1500.0 nMPMID8935801, PMID7520908PDSP,BindingDB
Ki1584.89 - 1995.26 nMPMID9760039, PMID9067310, PMID8935801, PMID9732398IUPHAR
Ki1800.0 nMPMID11132243PDSP,BindingDB
Ki1913.0 nMPMID9067310PDSP,BindingDB
Ki2800.0 nMWander et al., PMID1987, PMID11527728PDSP,BindingDB,ChEMBL
Ki3500.0 nMPMID16051647PDSP
Ki3600.0 nMPMID18595716, PMID25070422PDSP,BindingDB,ChEMBL
Ki5084.0 nMPMID9686407PDSP,BindingDB

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