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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesRattus norvegicus (Rat)
GeneHtr1a
Synonym5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled
ADRBRL1
ADRB2RL1
5-HT1A
5-HT1A receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length422
Amino acid sequenceMDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProtP19327
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL273
IUPHAR1
DrugBankN/A

Ligand

NameCHEMBL366388
Molecular formulaC24H29FN2O
IUPAC name1-(4-fluorophenyl)-4-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]butan-1-one
Molecular weight380.507
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50056946
1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-butan-1-one
Inchi KeyJGHINESLHSSDOZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
PubChem CID9864676
ChEMBLCHEMBL366388
IUPHARN/A
BindingDB50056946
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50210.0 nMPMID9083484BindingDB,ChEMBL
Inhibition37.0 %PMID9083484ChEMBL
Ki17.0 nMPMID9083484BindingDB,ChEMBL

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