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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesRattus norvegicus (Rat)
GeneHtr1a
Synonym5-HT1A receptor
5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled
5-HT1A
ADRB2RL1
ADRBRL1
[ 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

NameCHEMBL288450
Molecular formulaC23H26N4O2S
IUPAC name2-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]ethyl]-3H-isoindol-1-one
Molecular weight422.547
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.2
Synonyms2-[5-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]-3-oxapentan-1-yl]isoindolin-1-one
BDBM50048809
SCHEMBL9378095
2-{2-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethoxy]-ethyl}-2,3-dihydro-isoindol-1-one
Inchi KeyABANXTFMSGCHMG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N4O2S/c28-23-19-6-2-1-5-18(19)17-27(23)14-16-29-15-13-25-9-11-26(12-10-25)22-20-7-3-4-8-21(20)30-24-22/h1-8H,9-17H2
PubChem CID10764716
ChEMBLCHEMBL288450
IUPHARN/A
BindingDB50048809
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50220.0 nMPMID8568802BindingDB,ChEMBL

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