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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesRattus norvegicus (Rat)
GeneHtr1a
Synonym5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled
ADRBRL1
ADRB2RL1
5-HT1A
5-HT1A receptor
[ 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

NameTERTATOLOL
Molecular formulaC16H25NO2S
IUPAC name1-(tert-butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol
Molecular weight295.441
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.7
Synonymsdl-Tertatolol
rac Tertatolol
83688-84-0
dl-Tertatalol
Racemic teraterol
[ Show all ]
Inchi KeyHTWFXPCUFWKXOP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
PubChem CID36920
ChEMBLCHEMBL434200
IUPHAR571
BindingDB50280934
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7.7 nMN/ABindingDB
Ki7.71 nMBioorg. Med. Chem. Lett., (1993) 3:10:2035ChEMBL
Ki8.31 nMPMID8301575BindingDB
Ki18.0 nMN/ABindingDB
Ki18.2 nMBioorg. Med. Chem. Lett., (1993) 3:10:2035ChEMBL
Ki18.62 nMPMID8568799ChEMBL
Ki37.6 nMBioorg. Med. Chem. Lett., (1993) 3:10:2035ChEMBL
Ki38.0 nMN/ABindingDB

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