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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

NameBmy-7378
Molecular formulaC22H31N3O3
IUPAC name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight385.508
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.8
SynonymsNCGC00015126-06
UNII-08EI0K81OL
08EI0K81OL
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
AYYCFGDXLUPJAQ-UHFFFAOYSA-N
[ Show all ]
Inchi KeyAYYCFGDXLUPJAQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
PubChem CID2419
ChEMBLCHEMBL13647
IUPHAR9
BindingDB50026917
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502.4 nM, Bioorg. Med. Chem. Lett., (1996) 6:6:689BindingDB,ChEMBL
Ki1.95 nMPMID7562940ChEMBL
Ki1.99 nMPMID8301575BindingDB
Ki2.399 nMPMID8568799ChEMBL
Ki8.2 nMPMID8676348BindingDB,ChEMBL
Ki79.43 nMPMID8568799ChEMBL

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