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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

NameCHEMBL55460
Molecular formulaC20H27Cl2N3O2
IUPAC name8-[2-[2-(2,5-dichloroanilino)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight412.355
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
Synonyms8-(2-{[2-(2,5-Dichloro-phenylamino)-ethyl]-methyl-amino}-ethyl)-8-aza-spiro[4.5]decane-7,9-dione
BDBM50143710
Inchi KeyCAFBNEJZNQABOY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27Cl2N3O2/c1-24(9-8-23-17-12-15(21)4-5-16(17)22)10-11-25-18(26)13-20(14-19(25)27)6-2-3-7-20/h4-5,12,23H,2-3,6-11,13-14H2,1H3
PubChem CID11350440
ChEMBLCHEMBL55460
IUPHARN/A
BindingDB50143710
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki717.0 nMPMID15055991BindingDB,ChEMBL

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