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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

Namerisperidone
Molecular formulaC23H27FN4O2
IUPAC name3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular weight410.493
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.7
SynonymsTox21_110253_1
NSC759895
R 62 766
R-64766
Risperdal (TN)
[ Show all ]
Inchi KeyRAPZEAPATHNIPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
PubChem CID5073
ChEMBLCHEMBL85
IUPHAR96
BindingDB50001885
DrugBankDB00734

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50799.0 nMDrugMatrix in vitro pharmacology dataChEMBL
IC50820.0 nMPMID1672156BindingDB,ChEMBL
IC50950.0 nMPMID7914536BindingDB
IC50950.0 nMPMID8831770, PMID7914536BindingDB,ChEMBL
Ki21.0 nMPMID9430133BindingDB
Ki130.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:12:1245BindingDB,ChEMBL
Ki180.0 nMPMID23675993ChEMBL
Ki182.0 nMPMID27639363BindingDB,ChEMBL
Ki190.0 nMPMID19072656BindingDB,ChEMBL
Ki190.2 nMPMID24487191, MedChemComm, (2015) 6:5:831ChEMBL
Ki211.0 nMPMID26483200BindingDB,ChEMBL
Ki250.0 nMPMID8935801BindingDB
Ki253.0 nMPMID9622541BindingDB,ChEMBL
Ki457.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki490.0 nMPMID8822531BindingDB
Ki491.0 nMPMID9876110BindingDB,ChEMBL
Ki630.957 nMPMID8997630IUPHAR
Ki720.0 nMPMID10464021BindingDB,ChEMBL

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