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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

NameCHEMBL317532
Molecular formulaC26H28FNO4
IUPAC name6-fluoro-8-[2-[4-(4-methoxynaphthalen-1-yl)butylamino]ethoxy]-2,3-dihydrochromen-4-one
Molecular weight437.511
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
Synonyms6-Fluoro-8-{2-[4-(4-methoxy-naphthalen-1-yl)-butylamino]-ethoxy}-chroman-4-one
8-[2-[[4-(4-Methoxy-1-naphthyl)butyl]amino]ethoxy]-6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one
BDBM50065574
Inchi KeyADQOQGKIFXKTKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28FNO4/c1-30-24-10-9-18(20-7-2-3-8-21(20)24)6-4-5-12-28-13-15-31-25-17-19(27)16-22-23(29)11-14-32-26(22)25/h2-3,7-10,16-17,28H,4-6,11-15H2,1H3
PubChem CID10670618
ChEMBLCHEMBL317532
IUPHARN/A
BindingDB50065574
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
FSC recovery-15.0 %PMID9667967ChEMBL

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