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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

Namespiperone
Molecular formulaC23H26FN3O2
IUPAC name8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight395.478
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.0
SynonymsSPBio_001532
Espiperona
HMS2092H17
KBio2_001623
1,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl-
[ Show all ]
Inchi KeyDKGZKTPJOSAWFA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
PubChem CID5265
ChEMBLCHEMBL267930
IUPHAR99, 3300
BindingDB21397
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50123.0 nMPMID3373482BindingDB
IC50123.03 nMPMID3373482ChEMBL
Ki25.12 nMPMID8917649ChEMBL
Ki30.0 nMPMID2569041BindingDB,ChEMBL
Ki40.0 nMPMID3543362BindingDB,ChEMBL
Ki49.0 nMPMID8355253BindingDB,ChEMBL
Ki58.0 nMPMID9836624BindingDB,ChEMBL
Ki114.81 nMPMID8301575BindingDB
Ki602.0 nMPMID8230102BindingDB,ChEMBL

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