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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesMus musculus (Mouse)
GeneHtr1a
SynonymADRBRL1
5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled
5-HT-1A
5-HT1A receptor
Serotonin receptor 1A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length421
Amino acid sequenceMDMFSLGQGNNTTTSLEPFGTGGNDTGLSNVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSNPNECTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKKGAGTSFGTSSAPPPKKSLNGQPGSGDCRRSAENRAVGTPCANGAVRQGEDDATLEVIEVHRVGNSKGHLPLPSESGATSYVPACLERKNERTAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPELLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCR
UniProtQ64264
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3737
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL338310
Molecular formulaC21H26N2O
IUPAC name5-(1H-indol-3-yl)-6-piperidin-1-ylbicyclo[2.2.2]octan-2-one
Molecular weight322.452
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50012981
5-(1H-Indol-3-yl)-6-piperidin-1-yl-bicyclo[2.2.2]octan-2-one
Inchi KeySQIRNABIBUHYJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N2O/c24-19-12-14-8-9-16(19)21(23-10-4-1-5-11-23)20(14)17-13-22-18-7-3-2-6-15(17)18/h2-3,6-7,13-14,16,20-22H,1,4-5,8-12H2
PubChem CID44351485
ChEMBLCHEMBL338310
IUPHARN/A
BindingDB50012981
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Hill coefficient0.88 -PMID2136918ChEMBL
Hill coefficient1.2 -PMID2136918ChEMBL
IC5086000.0 nMPMID2136918BindingDB,ChEMBL
IC50160000.0 nMPMID2136918ChEMBL
Ki61000.0 nMPMID2136918ChEMBL
Ki115000.0 nMPMID2136918BindingDB,ChEMBL

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