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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

NameCHEMBL2112696
Molecular formulaC24H24FN3OS
IUPAC name1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)propan-1-ol
Molecular weight421.534
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsN/A
Inchi KeySKZALCXJWOZPOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)9-10-27-11-13-28(14-12-27)24-8-5-17-3-1-2-4-21(17)26-24/h1-8,15-16,22,29H,9-14H2
PubChem CID71449095
ChEMBLCHEMBL2112696
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Basal14.43 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL
Basal19.29 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL
IC503.8 nMPMID12213056ChEMBL
Increase27.7 %PMID12213056ChEMBL
Inhibition80.0 %PMID12213056ChEMBL
Ki2.5 nMPMID12213056ChEMBL
Max18.43 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL
Max21.38 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL

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