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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

NameCHEMBL336842
Molecular formulaC23H25FN2O3S
IUPAC name3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-(5-fluoro-1-benzothiophen-3-yl)propan-1-ol
Molecular weight428.522
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.9
SynonymsSCHEMBL6598110
BDBM50118335
3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazin-1-yl)-1-(5-fluorobenzo[b]thiophen-3-yl)propan-1-ol
3-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-1-(5-fluoro-benzo[b]thiophen-3-yl)-propan-1-ol;
Inchi KeyHHHBXYJMJDRSJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2
PubChem CID10180988
ChEMBLCHEMBL336842
IUPHARN/A
BindingDB50118335
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Basal11.87 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL
Basal19.07 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL
IC5031.16 nMPMID12213056BindingDB,ChEMBL
Increase17.94 %PMID12213056ChEMBL
Inhibition101.0 %PMID12213056ChEMBL
Ki6.0 nMPMID26390077, PMID12213056BindingDB,ChEMBL
Ki6.0 nMPMID26390077BindingDB
Max14.0 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL
Max18.9 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL

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