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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

NameCHEMBL566890
Molecular formulaC22H26ClN7O2
IUPAC name6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Molecular weight455.947
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.0
Synonyms8-[3-(N4-3''-chlorophenyl)-piperazin-N1-yl-propyl]-1,3-dimethyl-(1H,8H)-imidazo[2,1-f]purine-2,4-dione
BDBM50301631
Inchi KeyAEQRKKLCVSMSAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26ClN7O2/c1-25-19-18(20(31)26(2)22(25)32)30-14-13-29(21(30)24-19)8-4-7-27-9-11-28(12-10-27)17-6-3-5-16(23)15-17/h3,5-6,13-15H,4,7-12H2,1-2H3
PubChem CID44512622
ChEMBLCHEMBL566890
IUPHARN/A
BindingDB50301631
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<1000.0 nMPMID19679379BindingDB,ChEMBL

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