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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

NameCHEMBL299454
Molecular formulaC21H30ClN3O
IUPAC name8-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decan-9-one
Molecular weight375.941
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50143680
8-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decan-7-one
Inchi KeyBYHQOSOPNSLUAD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H30ClN3O/c22-18-5-1-2-6-19(18)24-14-11-23(12-15-24)13-16-25-10-9-21(17-20(25)26)7-3-4-8-21/h1-2,5-6H,3-4,7-17H2
PubChem CID11234230
ChEMBLCHEMBL299454
IUPHARN/A
BindingDB50143680
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.06 nMPMID15055991BindingDB,ChEMBL

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