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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

NameCHEMBL190525
Molecular formulaC26H29N5O3
IUPAC name3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-(4-methylphenyl)-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
Molecular weight459.55
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50164347
3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-6-p-tolyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
Inchi KeyAGKWUSSOLCJWPA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29N5O3/c1-18-7-9-19(10-8-18)20-17-21-24(27-20)25(32)31(26(33)28-21)16-13-29-11-14-30(15-12-29)22-5-3-4-6-23(22)34-2/h3-10,17,27H,11-16H2,1-2H3,(H,28,33)
PubChem CID11487989
ChEMBLCHEMBL190525
IUPHARN/A
BindingDB50164347
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID15801833BindingDB,ChEMBL

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