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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

NameCHEMBL283065
Molecular formulaC25H25NO2
IUPAC name(6aR)-11-(2,6-dimethoxyphenyl)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Molecular weight371.48
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.1
Synonyms(6aR)-11-(2,6-Dimethoxyphenyl)-4,5,6a,7-tetrahydro-6-methyl-6H-dibenzo[de,g]quinoline
BDBM50098546
(R)-11-(2,6-Dimethoxy-phenyl)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Inchi KeyCCSCYJFJDDPPKK-HXUWFJFHSA-N
Inchi IDInChI=1S/C25H25NO2/c1-26-14-13-16-7-4-9-18-23-17(15-20(26)24(16)18)8-5-10-19(23)25-21(27-2)11-6-12-22(25)28-3/h4-12,20H,13-15H2,1-3H3/t20-/m1/s1
PubChem CID10571274
ChEMBLCHEMBL283065
IUPHARN/A
BindingDB50098546
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki554.0 nMPMID11311055BindingDB,ChEMBL

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