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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

NameCHEMBL521687
Molecular formulaC25H35N3O4S2
IUPAC name[4-[[6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]hexanoylamino]methyl]phenyl] methanesulfonate
Molecular weight505.692
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50253284
N-(4-Methanesulfonyloxyphenylmethyl)-4-(2-methylthiophenyl)-1-piperazinehexanamide
Inchi KeyDINBMKNNYLFNIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H35N3O4S2/c1-33-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)32-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29)
PubChem CID25107581
ChEMBLCHEMBL521687
IUPHARN/A
BindingDB50253284
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki10.0 nMPMID18800769BindingDB
Ki10.3 nMPMID18800769ChEMBL
Ki10.3 nMPMID18800769PDSP

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