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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

NameCHEMBL2442997
Molecular formulaC28H34N4O3
IUPAC name3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-2-ylmethyl)propanamide
Molecular weight474.605
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsSCHEMBL14060335
BDBM50442744
Inchi KeyADYXBCBUZBBOEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34N4O3/c1-34-25-11-9-23(10-12-25)26-7-2-3-8-27(26)32-17-15-31(16-18-32)19-21-35-20-13-28(33)30-22-24-6-4-5-14-29-24/h2-12,14H,13,15-22H2,1H3,(H,30,33)
PubChem CID71061756
ChEMBLCHEMBL2442997
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki918.0 nMPMID24508140, PMID24100077ChEMBL

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